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

Systemtic Name: 2-[[(E)-3-(3-bromophenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(3-bromophenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(3-bromophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(3-bromophenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(3-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(=O)O)NC(=O)C(=CC2=CC(=CC=C2)Br)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)/C(=C/C2=CC(=CC=C2)Br)/C#N

InChI

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