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

Systemtic Name: sodium 4-[(1E,3E)-2,4-dicyano-1-(1H-indol-3-yl)penta-1,3-dien-3-yl]benzoate Openeye Name: sodium 4-[(E)-2-cyano-1-[(E)-1-cyano-2-(1H-indol-3-yl)vinyl]prop-1-enyl]benzoate CAS Name: sodium 4-[(1E,3E)-2,4-dicyano-1-(1H-indol-3-yl)penta-1,3-dien-3-yl]benzoate IUPAC Name: sodium 4-[(1E,3E)-2,4-dicyano-1-(1H-indol-3-yl)penta-1,3-dien-3-yl]benzoate Traditional Name: sodium 4-[(E)-2-cyano-1-[(E)-1-cyano-2-(1H-indol-3-yl)vinyl]prop-1-enyl]benzoate Formula: C22H14N3NaO2 MolecularWeight: 375.35523

Click to see the large picture

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.[Na+]

Isomeric SMILES

C/C(=C(/C1=CC=C(C=C1)C(=O)[O-])\C(=C/C2=CNC3=CC=CC=C32)\C#N)/C#N.[Na+]

InChI

InChI=1S/C22H15N3O2.Na/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);/q;+1/p-1/b17-10-,21-14+;