(2-azanyl-2-oxidanylidene-ethyl) 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)OCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)OCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3/c1-13-7-5-6-10-15(13)18-16(19(24)25-12-17(20)23)11-22(21-18)14-8-3-2-4-9-14/h2-11H,12H2,1H3,(H2,20,23)