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

Systemtic Name: [4-[(E)-2-cyano-3-[(2-methyl-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-6-iodanyl-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methyl-4-nitro-anilino)-3-oxo-prop-1-enyl]-2-ethoxy-6-iodo-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-(2-methyl-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxy-6-iodophenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methyl-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxy-6-iodophenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methyl-4-nitro-anilino)prop-1-enyl]-2-ethoxy-6-iodo-phenyl] ester Formula: C27H22IN3O7 MolecularWeight: 627.38395

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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-])C)I)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-])C)I)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H22IN3O7/c1-4-37-24-14-17(13-22(28)25(24)38-27(33)18-5-8-21(36-3)9-6-18)12-19(15-29)26(32)30-23-10-7-20(31(34)35)11-16(23)2/h5-14H,4H2,1-3H3,(H,30,32)/b19-12+