[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(5-methoxycarbonyl-2-methyl-anilino)-2-oxo-ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid [2-(5-carbomethoxy-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H18ClN3O5 MolecularWeight: 427.83772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClN3O5/c1-12-3-4-14(20(27)29-2)9-16(12)23-19(26)11-30-21(28)18-10-17(24-25-18)13-5-7-15(22)8-6-13/h3-10H,11H2,1-2H3,(H,23,26)(H,24,25)