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

Systemtic Name: [4-[(E)-2-cyano-3-[(2-methyl-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methyl-4-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-(2-methyl-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methyl-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methyl-4-nitro-anilino)prop-1-enyl]phenyl] ester Formula: C25H19N3O6 MolecularWeight: 457.43486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)/C#N

InChI

InChI=1S/C25H19N3O6/c1-16-13-20(28(31)32)7-12-23(16)27-24(29)19(15-26)14-17-3-8-22(9-4-17)34-25(30)18-5-10-21(33-2)11-6-18/h3-14H,1-2H3,(H,27,29)/b19-14+