4-[(4Z)-3-methyl-5-oxidanylidene-4-(pyridin-3-ylmethylidene)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-3-methyl-5-oxidanylidene-4-(pyridin-3-ylmethylidene)pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-methyl-5-oxo-4-(3-pyridylmethylene)pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-methyl-5-oxo-4-(3-pyridinylmethylidene)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-methyl-5-oxo-4-(pyridin-3-ylmethylidene)pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-(3-pyridylmethylene)-2-pyrazolin-1-yl]benzoic acid Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CN=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13N3O3/c1-11-15(9-12-3-2-8-18-10-12)16(21)20(19-11)14-6-4-13(5-7-14)17(22)23/h2-10H,1H3,(H,22,23)/b15-9-