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

Systemtic Name: ethyl 3-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzoate Openeye Name: ethyl 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoate CAS Name: 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoate Traditional Name: 3-(5-keto-3-methyl-2-pyrazolin-1-yl)benzoic acid ethyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2C(=O)CC(=N2)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2C(=O)CC(=N2)C

InChI

InChI=1S/C13H14N2O3/c1-3-18-13(17)10-5-4-6-11(8-10)15-12(16)7-9(2)14-15/h4-6,8H,3,7H2,1-2H3