[1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-acetylanilino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H20ClN3O4/c1-13-19(20(23)26(25-13)18-10-5-4-6-11-18)22(29)30-15(3)21(28)24-17-9-7-8-16(12-17)14(2)27/h4-12,15H,1-3H3,(H,24,28)