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

Systemtic Name: 4-[(4Z)-3-methanoyl-5-oxidanylidene-4-[[1-(2-oxidanylidenebutyl)indol-3-yl]methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-formyl-5-oxo-4-[[1-(2-oxobutyl)indol-3-yl]methylene]pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-formyl-5-oxo-4-[[1-(2-oxobutyl)-3-indolyl]methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-formyl-5-oxo-4-[[1-(2-oxobutyl)indol-3-yl]methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-3-formyl-5-keto-4-[[1-(2-ketobutyl)indol-3-yl]methylene]-2-pyrazolin-1-yl]benzoic acid Formula: C24H19N3O5 MolecularWeight: 429.42476

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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=O

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=O

InChI

InChI=1S/C24H19N3O5/c1-2-18(29)13-26-12-16(19-5-3-4-6-22(19)26)11-20-21(14-28)25-27(23(20)30)17-9-7-15(8-10-17)24(31)32/h3-12,14H,2,13H2,1H3,(H,31,32)/b20-11-