[4-[(E)-3-[(2-chloranyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(E)-3-[(2-chloranyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C24H16ClN3O6 MolecularWeight: 477.85334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H16ClN3O6/c1-33-19-9-4-16(5-10-19)24(30)34-20-7-2-15(3-8-20)12-17(14-26)23(29)27-22-11-6-18(28(31)32)13-21(22)25/h2-13H,1H3,(H,27,29)/b17-12+