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

Systemtic Name: 4-[(4Z)-3-methyl-5-oxidanylidene-4-(pyridin-4-ylmethylidene)pyrazol-1-yl]benzoate Openeye Name: 4-[(4Z)-3-methyl-5-oxo-4-(4-pyridylmethylene)pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-3-methyl-5-oxo-4-(pyridin-4-ylmethylidene)-1-pyrazolyl]benzoate IUPAC Name: 4-[(4Z)-3-methyl-5-oxo-4-(pyridin-4-ylmethylidene)pyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-(4-pyridylmethylene)-2-pyrazolin-1-yl]benzoate Formula: C17H12N3O3- MolecularWeight: 306.29548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=NC=C2)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=NC=C2)C3=CC=C(C=C3)C(=O)[O-]

InChI

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