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

Systemtic Name: [2-bromanyl-4-[(E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [2-bromo-4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxo-prop-1-enyl]-6-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-bromo-4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-6-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-bromo-4-[(E)-2-cyano-3-keto-3-(4-nitroanilino)prop-1-enyl]-6-methoxy-phenyl] ester Formula: C25H18BrN3O7 MolecularWeight: 552.33032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C=C(C#N)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C25H18BrN3O7/c1-34-20-9-3-16(4-10-20)25(31)36-23-21(26)12-15(13-22(23)35-2)11-17(14-27)24(30)28-18-5-7-19(8-6-18)29(32)33/h3-13H,1-2H3,(H,28,30)/b17-11+