[1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-phenylanilino)ethyl] 5-chloro-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolecarboxylic acid [1-oxo-1-(2-phenylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2-phenylanilino)propan-2-yl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-carboxylic acid [2-keto-1-methyl-2-(2-phenylanilino)ethyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)Cl)C

InChI

InChI=1S/C21H20ClN3O3/c1-13-18(19(22)25(3)24-13)21(27)28-14(2)20(26)23-17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,14H,1-3H3,(H,23,26)