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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H14N4O6 MolecularWeight: 406.34836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H14N4O6/c1-29-17-5-2-13(3-6-17)8-15(11-22)20(26)30-12-19(25)23-18-7-4-16(24(27)28)9-14(18)10-21/h2-9H,12H2,1H3,(H,23,25)/b15-8+