2-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]benzoate

Systemtic Name: 2-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]benzoate Openeye Name: 2-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]amino]benzoate CAS Name: 2-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]amino]benzoate IUPAC Name: 2-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate Traditional Name: 2-[[(Z)-[1-(2,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]amino]benzoate Formula: C20H18N3O3- MolecularWeight: 348.37522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=CC=CC=C3C(=O)[O-])C(=N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)/C(=C\NC3=CC=CC=C3C(=O)[O-])/C(=N2)C)C

InChI

InChI=1S/C20H19N3O3/c1-12-8-9-18(13(2)10-12)23-19(24)16(14(3)22-23)11-21-17-7-5-4-6-15(17)20(25)26/h4-11,21H,1-3H3,(H,25,26)/p-1/b16-11-