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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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