4-[(1E,3E)-2,4-dicyano-1-(1H-indol-3-yl)penta-1,3-dien-3-yl]benzoic acid

Systemtic Name: 4-[(1E,3E)-2,4-dicyano-1-(1H-indol-3-yl)penta-1,3-dien-3-yl]benzoic acid Openeye Name: 4-[(E)-2-cyano-1-[(E)-1-cyano-2-(1H-indol-3-yl)vinyl]prop-1-enyl]benzoic acid CAS Name: 4-[(1E,3E)-2,4-dicyano-1-(1H-indol-3-yl)penta-1,3-dien-3-yl]benzoic acid IUPAC Name: 4-[(1E,3E)-2,4-dicyano-1-(1H-indol-3-yl)penta-1,3-dien-3-yl]benzoic acid Traditional Name: 4-[(E)-2-cyano-1-[(E)-1-cyano-2-(1H-indol-3-yl)vinyl]prop-1-enyl]benzoic acid Formula: C22H15N3O2 MolecularWeight: 353.3734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=CC=C(C=C1)C(=O)O)C(=CC2=CNC3=CC=CC=C32)C#N)C#N

Isomeric SMILES

C/C(=C(/C1=CC=C(C=C1)C(=O)O)\C(=C/C2=CNC3=CC=CC=C32)\C#N)/C#N

InChI

InChI=1S/C22H15N3O2/c1-14(11-23)21(15-6-8-16(9-7-15)22(26)27)17(12-24)10-18-13-25-20-5-3-2-4-19(18)20/h2-10,13,25H,1H3,(H,26,27)/b17-10-,21-14+