methyl 4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoate

Systemtic Name: methyl 4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoate Openeye Name: methyl 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoate CAS Name: 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoate Traditional Name: 4-(5-keto-3-methyl-3-pyrazolin-1-yl)benzoic acid methyl ester Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=O)N(N1)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C12H12N2O3/c1-8-7-11(15)14(13-8)10-5-3-9(4-6-10)12(16)17-2/h3-7,13H,1-2H3