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

Systemtic Name: 4-[[(E)-3-(3-bromanyl-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-(3-bromo-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-(3-bromo-4-methoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C18H13BrN2O4/c1-25-16-7-2-11(9-15(16)19)8-13(10-20)17(22)21-14-5-3-12(4-6-14)18(23)24/h2-9H,1H3,(H,21,22)(H,23,24)/b13-8+