KEGG   COMPOUND: C02231
Entry
C02231                      Compound                               
Name
3-Nitroacrylate
Formula
C3H3NO4
Exact mass
117.0062
Mol weight
117.0602
Structure
Reaction
Enzyme
Other DBs
PubChem: 5295
ChEBI: 17610
NIKKAJI: J2.735.653B
LinkDB
KCF data

ATOM        8
            1   C6a C    20.4950  -14.1794
            2   C2b C    19.4730  -14.7721
            3   O6a O    21.5871  -14.7721
            4   O6a O    20.4950  -12.9996
            5   C2b C    18.4453  -14.1794
            6   N2b N    16.8251  -14.9188 #+
            7   O3a O    16.7715  -16.5770
            8   O3a O    15.4279  -14.0761 #-
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 2
            7     6   8 1

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