4-[[2-(4-chlorophenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[2-(4-chlorophenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[2-(4-chlorophenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[2-(4-chlorophenyl)-5-methyl-4-phenyl-3-pyrazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[2-(4-chlorophenyl)-5-methyl-4-phenylpyrazol-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[2-(4-chlorophenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-4-keto-butyrate Formula: C20H17ClN3O3- MolecularWeight: 382.82028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC=CC=C2)NC(=O)CCC(=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C(=C1C2=CC=CC=C2)NC(=O)CCC(=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O3/c1-13-19(14-5-3-2-4-6-14)20(22-17(25)11-12-18(26)27)24(23-13)16-9-7-15(21)8-10-16/h2-10H,11-12H2,1H3,(H,22,25)(H,26,27)/p-1