2-[[(E)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-[1-(2-cyanoethyl)-3-indolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]acryloyl]amino]benzoic acid Formula: C22H16N4O3 MolecularWeight: 384.38744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H16N4O3/c23-10-5-11-26-14-16(17-6-2-4-9-20(17)26)12-15(13-24)21(27)25-19-8-3-1-7-18(19)22(28)29/h1-4,6-9,12,14H,5,11H2,(H,25,27)(H,28,29)/b15-12+