benzoic acid; 5-oxidanyl-4-(3-oxidanylidenebutyl)-1,2-diphenyl-pyrazol-3-one

Systemtic Name: benzoic acid; 5-oxidanyl-4-(3-oxidanylidenebutyl)-1,2-diphenyl-pyrazol-3-one Openeye Name: benzoic acid; 5-hydroxy-4-(3-oxobutyl)-1,2-diphenyl-pyrazol-3-one CAS Name: benzoic acid; 5-hydroxy-4-(3-oxobutyl)-1,2-diphenyl-3-pyrazolone IUPAC Name: benzoic acid; 5-hydroxy-4-(3-oxobutyl)-1,2-diphenylpyrazol-3-one Traditional Name: benzoic acid; 5-hydroxy-4-(3-ketobutyl)-1,2-diphenyl-3-pyrazolin-3-one Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C19H18N2O3.C7H6O2/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16;8-7(9)6-4-2-1-3-5-6/h2-11,23H,12-13H2,1H3;1-5H,(H,8,9)