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

Systemtic Name: [4-[(E)-3-[(2-bromanyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-iodanyl-6-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-3-(2-bromo-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-iodo-6-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-3-(2-bromo-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-iodo-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(2-bromo-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-iodo-6-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-3-(2-bromo-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]-2-iodo-6-methoxy-phenyl] ester Formula: C25H17BrIN3O7 MolecularWeight: 678.22685

Click to see the large picture

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-])Br)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-])Br)OC

InChI

InChI=1S/C25H17BrIN3O7/c1-35-18-6-3-15(4-7-18)25(32)37-23-20(27)10-14(11-22(23)36-2)9-16(13-28)24(31)29-21-8-5-17(30(33)34)12-19(21)26/h3-12H,1-2H3,(H,29,31)/b16-9+