3-[[3-(5-bromanyl-1H-indol-3-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-(5-bromanyl-1H-indol-3-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(5-bromo-1H-indol-3-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(5-bromo-1H-indol-3-yl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(5-bromo-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(5-bromo-1H-indol-3-yl)-2-cyano-acryloyl]amino]benzoic acid Formula: C19H12BrN3O3 MolecularWeight: 410.22088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=CC2=CNC3=C2C=C(C=C3)Br)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(=CC2=CNC3=C2C=C(C=C3)Br)C#N)C(=O)O

InChI

InChI=1S/C19H12BrN3O3/c20-14-4-5-17-16(8-14)13(10-22-17)6-12(9-21)18(24)23-15-3-1-2-11(7-15)19(25)26/h1-8,10,22H,(H,23,24)(H,25,26)