2-[[(E)-3-(3-bromanyl-4-fluoranyl-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(3-bromanyl-4-fluoranyl-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(3-bromo-4-fluoro-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(3-bromo-4-fluorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(3-bromo-4-fluorophenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(3-bromo-4-fluoro-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C17H10BrFN2O3 MolecularWeight: 389.175303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=CC2=CC(=C(C=C2)F)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H10BrFN2O3/c18-13-8-10(5-6-14(13)19)7-11(9-20)16(22)21-15-4-2-1-3-12(15)17(23)24/h1-8H,(H,21,22)(H,23,24)/b11-7+