methyl (4E)-5-oxidanylidene-1-phenyl-4-(pyridin-3-ylmethylidene)pyrazole-3-carboxylate

Systemtic Name: methyl (4E)-5-oxidanylidene-1-phenyl-4-(pyridin-3-ylmethylidene)pyrazole-3-carboxylate Openeye Name: methyl (4E)-5-oxo-1-phenyl-4-(3-pyridylmethylene)pyrazole-3-carboxylate CAS Name: (4E)-5-oxo-1-phenyl-4-(3-pyridinylmethylidene)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl (4E)-5-oxo-1-phenyl-4-(pyridin-3-ylmethylidene)pyrazole-3-carboxylate Traditional Name: (4E)-5-keto-1-phenyl-4-(3-pyridylmethylene)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O3/c1-23-17(22)15-14(10-12-6-5-9-18-11-12)16(21)20(19-15)13-7-3-2-4-8-13/h2-11H,1H3/b14-10+