[2-bromanyl-4-[(E)-2-cyano-3-[(2-methoxy-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [2-bromanyl-4-[(E)-2-cyano-3-[(2-methoxy-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] 4-methoxybenzoate Openeye Name: [2-bromo-4-[(E)-2-cyano-3-(2-methoxy-4-nitro-anilino)-3-oxo-prop-1-enyl]-6-ethoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-bromo-4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-6-ethoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-bromo-4-[(E)-2-cyano-3-keto-3-(2-methoxy-4-nitro-anilino)prop-1-enyl]-6-ethoxy-phenyl] ester Formula: C27H22BrN3O8 MolecularWeight: 596.38288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)Br)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)Br)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H22BrN3O8/c1-4-38-24-13-16(12-21(28)25(24)39-27(33)17-5-8-20(36-2)9-6-17)11-18(15-29)26(32)30-22-10-7-19(31(34)35)14-23(22)37-3/h5-14H,4H2,1-3H3,(H,30,32)/b18-11+