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

Systemtic Name: 2-[(4Z)-4-[[1-(1-cyanoethyl)indol-3-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 2-[(4Z)-4-[[1-(1-cyanoethyl)indol-3-yl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 2-[(4Z)-4-[[1-(1-cyanoethyl)-3-indolyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-[(4Z)-4-[[1-(1-cyanoethyl)indol-3-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 2-[(4Z)-4-[[1-(1-cyanoethyl)indol-3-yl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)C(C)C#N)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CN(C3=CC=CC=C32)C(C)C#N)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H18N4O3/c1-14(12-24)26-13-16(17-7-3-5-9-20(17)26)11-19-15(2)25-27(22(19)28)21-10-6-4-8-18(21)23(29)30/h3-11,13-14H,1-2H3,(H,29,30)/b19-11-