5-[[(E)-[3-methyl-1-(2-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[(E)-[3-methyl-1-(2-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[(E)-[3-methyl-1-(o-tolyl)-5-oxo-pyrazol-4-ylidene]methyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[(E)-[3-methyl-1-(2-methylphenyl)-5-oxo-4-pyrazolylidene]methyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[(E)-[3-methyl-1-(2-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[(E)-[5-keto-3-methyl-1-(o-tolyl)-2-pyrazolin-4-ylidene]methyl]amino]benzoic acid Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CNC3=CC(=C(C=C3)O)C(=O)O)C(=N2)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)/C(=C/NC3=CC(=C(C=C3)O)C(=O)O)/C(=N2)C

InChI

InChI=1S/C19H17N3O4/c1-11-5-3-4-6-16(11)22-18(24)15(12(2)21-22)10-20-13-7-8-17(23)14(9-13)19(25)26/h3-10,20,23H,1-2H3,(H,25,26)/b15-10+