4-[(4Z)-3-methyl-5-oxidanylidene-4-[[1-(2-oxidanylidenebutyl)indol-3-yl]methylidene]pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-3-methyl-5-oxidanylidene-4-[[1-(2-oxidanylidenebutyl)indol-3-yl]methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-methyl-5-oxo-4-[[1-(2-oxobutyl)indol-3-yl]methylene]pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-methyl-5-oxo-4-[[1-(2-oxobutyl)-3-indolyl]methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-methyl-5-oxo-4-[[1-(2-oxobutyl)indol-3-yl]methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-5-keto-4-[[1-(2-ketobutyl)indol-3-yl]methylene]-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1C=C(C2=CC=CC=C21)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CCC(=O)CN1C=C(C2=CC=CC=C21)/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C24H21N3O4/c1-3-19(28)14-26-13-17(20-6-4-5-7-22(20)26)12-21-15(2)25-27(23(21)29)18-10-8-16(9-11-18)24(30)31/h4-13H,3,14H2,1-2H3,(H,30,31)/b21-12-