ethyl (E)-2-cyano-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)acrylic acid ethyl ester Formula: C12H10N2O6 MolecularWeight: 278.2176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C12H10N2O6/c1-2-20-12(17)8(6-13)3-7-4-9(14(18)19)11(16)10(15)5-7/h3-5,15-16H,2H2,1H3/b8-3+