4-[[3-methyl-1-(2-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methylamino]benzoate

Systemtic Name: 4-[[3-methyl-1-(2-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methylamino]benzoate Openeye Name: 4-[[3-methyl-1-(o-tolyl)-5-oxo-pyrazol-4-ylidene]methylamino]benzoate CAS Name: 4-[[3-methyl-1-(2-methylphenyl)-5-oxo-4-pyrazolylidene]methylamino]benzoate IUPAC Name: 4-[[3-methyl-1-(2-methylphenyl)-5-oxopyrazol-4-ylidene]methylamino]benzoate Traditional Name: 4-[[5-keto-3-methyl-1-(o-tolyl)-2-pyrazolin-4-ylidene]methylamino]benzoate Formula: C19H16N3O3- MolecularWeight: 334.34864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CNC3=CC=C(C=C3)C(=O)[O-])C(=N2)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CNC3=CC=C(C=C3)C(=O)[O-])C(=N2)C

InChI

InChI=1S/C19H17N3O3/c1-12-5-3-4-6-17(12)22-18(23)16(13(2)21-22)11-20-15-9-7-14(8-10-15)19(24)25/h3-11,20H,1-2H3,(H,24,25)/p-1