4-methyl-3-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]benzoic acid

Systemtic Name: 4-methyl-3-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]benzoic acid Openeye Name: 4-methyl-3-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methylamino]benzoic acid CAS Name: 4-methyl-3-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methylamino]benzoic acid IUPAC Name: 4-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]benzoic acid Traditional Name: 3-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methylamino]-4-methyl-benzoic acid Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C

InChI

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