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

Systemtic Name: [4-[(E)-2-cyano-3-[(4-nitro-2-oxidanyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-iodanyl-6-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-hydroxy-4-nitro-anilino)-3-oxo-prop-1-enyl]-2-iodo-6-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-iodo-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-iodo-6-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-(2-hydroxy-4-nitro-anilino)-3-keto-prop-1-enyl]-2-iodo-6-methoxy-phenyl] ester Formula: C25H18IN3O8 MolecularWeight: 615.33019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2I)C=C(C#N)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2I)/C=C(\C#N)/C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O)OC

InChI

InChI=1S/C25H18IN3O8/c1-35-18-6-3-15(4-7-18)25(32)37-23-19(26)10-14(11-22(23)36-2)9-16(13-27)24(31)28-20-8-5-17(29(33)34)12-21(20)30/h3-12,30H,1-2H3,(H,28,31)/b16-9+