[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H20N4O4/c1-12-3-5-14(6-4-12)17-11-18(25-24-17)21(28)29-13(2)20(27)23-16-9-7-15(8-10-16)19(22)26/h3-11,13H,1-2H3,(H2,22,26)(H,23,27)(H,24,25)