2-[[(E)-3-(2-bromophenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(2-bromophenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(2-bromophenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(2-bromophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(2-bromophenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(2-bromophenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C17H11BrN2O3 MolecularWeight: 371.18484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)Br

InChI

InChI=1S/C17H11BrN2O3/c18-14-7-3-1-5-11(14)9-12(10-19)16(21)20-15-8-4-2-6-13(15)17(22)23/h1-9H,(H,20,21)(H,22,23)/b12-9+