[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(4-methoxycarbonylanilino)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(4-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonylanilino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(4-carbomethoxyanilino)-2-keto-ethyl] ester Formula: C22H20ClN3O5 MolecularWeight: 441.8643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H20ClN3O5/c1-14-19(20(23)26(25-14)12-15-6-4-3-5-7-15)22(29)31-13-18(27)24-17-10-8-16(9-11-17)21(28)30-2/h3-11H,12-13H2,1-2H3,(H,24,27)