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

Systemtic Name: 2-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-(1H-indol-3-yl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(1H-indol-3-yl)acryloyl]amino]benzoic acid Formula: C19H13N3O3 MolecularWeight: 331.32482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H13N3O3/c20-10-12(9-13-11-21-16-7-3-1-5-14(13)16)18(23)22-17-8-4-2-6-15(17)19(24)25/h1-9,11,21H,(H,22,23)(H,24,25)/b12-9+