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

Systemtic Name: 3-[[2-cyano-3-[1-(cyanomethyl)indol-3-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[1-(cyanomethyl)indol-3-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[1-(cyanomethyl)-3-indolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[1-(cyanomethyl)indol-3-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[1-(cyanomethyl)indol-3-yl]acryloyl]amino]benzoic acid Formula: C21H14N4O3 MolecularWeight: 370.36086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC#N)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC#N)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H14N4O3/c22-8-9-25-13-16(18-6-1-2-7-19(18)25)10-15(12-23)20(26)24-17-5-3-4-14(11-17)21(27)28/h1-7,10-11,13H,9H2,(H,24,26)(H,27,28)