KEGG   COMPOUND: C19247
Entry
C19247                      Compound                               
Name
HC Blue No.1;
2,2'-[[4-(Methylamino)-3-nitrophenyl]imino]bisethanol
Formula
C11H17N3O4
Exact mass
255.1219
Mol weight
255.2704
Structure
Other DBs
CAS: 2784-94-3
PubChem: 124489919
ChEBI: 82333
KCF data

ATOM        18
            1   C8x C    17.3600  -17.9200
            2   C8y C    17.3600  -19.3200
            3   C8y C    18.5724  -20.0200
            4   C8x C    19.7849  -19.3200
            5   C8y C    19.7849  -17.9200
            6   C8x C    18.5724  -17.2200
            7   N1b N    16.1476  -20.0200
            8   C1a C    14.9521  -19.3296
            9   N2b N    18.5724  -21.4198 #+
            10  O3a O    17.3432  -22.1297
            11  N1c N    21.0160  -17.2090
            12  C1b C    22.2212  -17.9047
            13  C1b C    23.4035  -17.2219
            14  O1a O    24.5975  -17.9112
            15  C1b C    21.0157  -15.8201
            16  C1b C    22.2162  -15.1266
            17  O1a O    23.4062  -15.8135
            18  O3a O    19.7681  -22.1102 #-
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     3   9 1
            10    9  10 2
            11    5  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   11  15 1
            16   15  16 1
            17   16  17 1
            18    9  18 1

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