3-[(4Z)-4-[[1-(cyanomethyl)indol-3-yl]methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-4-[[1-(cyanomethyl)indol-3-yl]methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[[1-(cyanomethyl)indol-3-yl]methylene]-5-oxo-3-phenyl-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[[1-(cyanomethyl)-3-indolyl]methylidene]-5-oxo-3-phenyl-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[[1-(cyanomethyl)indol-3-yl]methylidene]-5-oxo-3-phenylpyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-[[1-(cyanomethyl)indol-3-yl]methylene]-5-keto-3-phenyl-2-pyrazolin-1-yl]benzoic acid Formula: C27H18N4O3 MolecularWeight: 446.45682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CN(C4=CC=CC=C43)CC#N)C5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C\2=NN(C(=O)/C2=C\C3=CN(C4=CC=CC=C43)CC#N)C5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C27H18N4O3/c28-13-14-30-17-20(22-11-4-5-12-24(22)30)16-23-25(18-7-2-1-3-8-18)29-31(26(23)32)21-10-6-9-19(15-21)27(33)34/h1-12,15-17H,14H2,(H,33,34)/b23-16-