[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H12N4O7 MolecularWeight: 396.31048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O7/c19-10-13-9-15(22(27)28)6-7-16(13)20-17(23)11-29-18(24)8-3-12-1-4-14(5-2-12)21(25)26/h1-9H,11H2,(H,20,23)/b8-3+