2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C18H13BrN2O4 MolecularWeight: 401.21082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H13BrN2O4/c1-25-16-7-6-13(19)9-11(16)8-12(10-20)17(22)21-15-5-3-2-4-14(15)18(23)24/h2-9H,1H3,(H,21,22)(H,23,24)/b12-8+