KEGG   COMPOUND: C10971
Entry
C10971                      Compound                               
Name
Isoimide;
N-(Bromophenyl)-3,4,5,6-tetrahydroisophthalimide
Formula
C14H12BrNO2
Exact mass
305.0051
Mol weight
306.1546
Structure
Other DBs
PubChem: 13154
ChEBI: 6020
NIKKAJI: J807.594H
LinkDB
KCF data

ATOM        18
            1   C1x C    23.1442  -19.7609
            2   C1x C    23.1442  -21.1607
            3   C1x C    24.3594  -21.8606
            4   C1x C    24.3594  -19.0610
            5   C2y C    25.5675  -19.7609
            6   C2y C    25.5617  -21.1641
            7   C7x C    26.8945  -21.6034
            8   O7x O    27.7237  -20.4715
            9   C2y C    26.9039  -19.3328
            10  O6a O    27.3216  -22.9364
            11  N2b N    27.3420  -18.0034
            12  C8y C    28.7124  -17.7180
            13  C8x C    29.6409  -18.7651
            14  C8x C    31.0113  -18.4799
            15  C8y C    31.4496  -17.1503
            16  C8x C    30.5172  -16.1061
            17  C8x C    29.1468  -16.3915
            18  X   Br   32.8201  -16.8651
BOND        20
            1     8   9 1
            2     9   5 1
            3     4   1 1
            4     7  10 2
            5     9  11 2
            6     1   2 1
            7    11  12 1
            8     2   3 1
            9     3   6 1
            10    5   4 1
            11    5   6 2
            12    6   7 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  12 1
            19    7   8 1
            20   15  18 1

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