[4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] benzoate

Systemtic Name: [4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] benzoate Openeye Name: [4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenyl] ester Formula: C24H18N2O3 MolecularWeight: 382.41132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H18N2O3/c1-17-22(23(27)26(25-17)20-10-6-3-7-11-20)16-18-12-14-21(15-13-18)29-24(28)19-8-4-2-5-9-19/h2-16H,1H3/b22-16+