4-[[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid

Systemtic Name: 4-[[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid Openeye Name: 4-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-acetyl]amino]benzoic acid CAS Name: 4-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1,2-dioxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoacetyl]amino]benzoic acid Traditional Name: 4-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]acetyl]amino]benzoic acid Formula: C20H18N4O5 MolecularWeight: 394.38072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N4O5/c1-12-16(19(27)24(23(12)2)15-6-4-3-5-7-15)22-18(26)17(25)21-14-10-8-13(9-11-14)20(28)29/h3-11H,1-2H3,(H,21,25)(H,22,26)(H,28,29)