[4-[(E)-2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] cyclohexanecarboxylate

Systemtic Name: [4-[(E)-2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] cyclohexanecarboxylate Openeye Name: [4-[(E)-2-cyano-3-(3-nitroanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [4-[(E)-2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [4-[(E)-2-cyano-3-keto-3-(3-nitroanilino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H23N3O6 MolecularWeight: 449.45592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3CCCCC3

InChI

InChI=1S/C24H23N3O6/c1-32-22-13-16(10-11-21(22)33-24(29)17-6-3-2-4-7-17)12-18(15-25)23(28)26-19-8-5-9-20(14-19)27(30)31/h5,8-14,17H,2-4,6-7H2,1H3,(H,26,28)/b18-12+