[2-methoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 3-methylbenzoate

Systemtic Name: [2-methoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 3-methylbenzoate Openeye Name: [2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C)OC

InChI

InChI=1S/C26H22N2O4/c1-17-8-7-9-20(14-17)26(30)32-23-13-12-19(16-24(23)31-3)15-22-18(2)27-28(25(22)29)21-10-5-4-6-11-21/h4-16H,1-3H3/b22-15+