[2-(dimethylamino)-2-oxidanylidene-ethyl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)N(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)N(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-15-8-7-9-16(12-15)20-18(21(26)27-14-19(25)23(2)3)13-24(22-20)17-10-5-4-6-11-17/h4-13H,14H2,1-3H3