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

Systemtic Name: methyl 4-[[(E)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]benzoate Openeye Name: methyl 4-[[(E)-[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methyl]amino]benzoate CAS Name: 4-[[(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]amino]benzoate Traditional Name: 4-[[(E)-[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methyl]amino]benzoic acid methyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC=C(C=C3)C(=O)OC)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/NC3=CC=C(C=C3)C(=O)OC)/C(=N2)C

InChI

InChI=1S/C20H19N3O3/c1-13-4-10-17(11-5-13)23-19(24)18(14(2)22-23)12-21-16-8-6-15(7-9-16)20(25)26-3/h4-12,21H,1-3H3/b18-12+