KEGG   COMPOUND: C21159
Entry
C21159                      Compound                               
Name
2,4-Dinitroanisole
Formula
C7H6N2O5
Exact mass
198.0277
Mol weight
198.1329
Structure
Reaction
Enzyme
Other DBs
PubChem: 313369419
LinkDB
KCF data

ATOM        14
            1   C8y C    18.6313  -15.0720
            2   C8x C    18.6313  -16.4671
            3   C8y C    17.4203  -14.3873
            4   N2b N    19.8234  -14.3811 #+
            5   C8y C    17.4203  -17.1708
            6   C8x C    16.2282  -15.0720
            7   O2a O    17.4139  -13.0051
            8   O3a O    19.8234  -13.0051
            9   O3a O    21.0217  -15.0594 #-
            10  C8x C    16.2282  -16.4671
            11  N2b N    17.4139  -18.5530 #+
            12  O3a O    18.6689  -19.3890 #-
            13  O3a O    16.2218  -19.3890
            14  C1a C    16.2167  -12.3214
BOND        14
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     3   7 1
            7     4   8 2
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11   11  12 1
            12   11  13 2
            13    6  10 1
            14    7  14 1

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