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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dimethoxyphenyl)acrylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O7/c1-28-17-7-3-13(9-18(17)29-2)4-8-20(25)30-12-19(24)22-16-6-5-15(23(26)27)10-14(16)11-21/h3-10H,12H2,1-2H3,(H,22,24)/b8-4+