KEGG   COMPOUND: C13705
Entry
C13705                      Compound                               
Name
5-Nitro-2-(3-phenylpropylamino)benzoic acid;
NPPB
Formula
C16H16N2O4
Exact mass
300.111
Mol weight
300.3092
Structure
Other DBs
CAS: 107254-86-4
PubChem: 586294
ChEBI: 34457
PDB-CCD: 7TH[PDBj]
NIKKAJI: J402.888K
LinkDB
KCF data

ATOM        22
            1   C8x C    34.6500  -17.0800
            2   C8x C    34.6500  -18.5500
            3   C8x C    33.4600  -19.2500
            4   C8y C    32.2000  -18.5500
            5   C8x C    32.2000  -17.0800
            6   C8x C    33.4600  -16.3800
            7   C1b C    31.0100  -19.1800
            8   C1b C    29.8200  -18.4800
            9   C1b C    28.6300  -19.1800
            10  N1b N    27.3700  -18.4800
            11  C8y C    26.1800  -19.1800
            12  C8x C    26.1800  -20.5800
            13  C8x C    24.9900  -21.2800
            14  C8y C    23.7300  -20.5800
            15  C8x C    23.7300  -19.1800
            16  C8y C    24.9900  -18.4800
            17  C6a C    24.9900  -17.0800
            18  O6a O    23.8000  -16.3800
            19  O6a O    26.1800  -16.3800
            20  N2b N    22.5400  -21.2800
            21  O3a O    22.5400  -22.6800
            22  O3a O    21.3500  -20.5800
BOND        23
            1    10  11 1
            2     5   6 2
            3     6   1 1
            4     4   7 1
            5     1   2 2
            6    11  12 2
            7    12  13 1
            8    13  14 2
            9    14  15 1
            10   15  16 2
            11   16  11 1
            12    7   8 1
            13   16  17 1
            14    2   3 1
            15   17  18 2
            16    8   9 1
            17   17  19 1
            18    3   4 2
            19   14  20 1
            20    9  10 1
            21   20  21 2
            22    4   5 1
            23   20  22 2

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