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

Systemtic Name: [4-[(E)-2-cyano-3-[(4-nitro-2-oxidanyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-6-iodanyl-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-hydroxy-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-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxy-6-iodophenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxy-6-iodophenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-(2-hydroxy-4-nitro-anilino)-3-keto-prop-1-enyl]-2-ethoxy-6-iodo-phenyl] ester Formula: C26H20IN3O8 MolecularWeight: 629.35677

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

InChI

InChI=1S/C26H20IN3O8/c1-3-37-23-12-15(11-20(27)24(23)38-26(33)16-4-7-19(36-2)8-5-16)10-17(14-28)25(32)29-21-9-6-18(30(34)35)13-22(21)31/h4-13,31H,3H2,1-2H3,(H,29,32)/b17-10+