[4-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C31H28N4O6 MolecularWeight: 552.57722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)OC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)OC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C31H28N4O6/c1-5-40-27-18-21(11-16-26(27)41-31(38)22-12-14-25(39-4)15-13-22)17-23(19-32)29(36)33-28-20(2)34(3)35(30(28)37)24-9-7-6-8-10-24/h6-18H,5H2,1-4H3,(H,33,36)/b23-17+