3-[[3-(3-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-(3-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(3-bromo-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(3-bromo-4,5-dimethoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C19H15BrN2O5 MolecularWeight: 431.2368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN2O5/c1-26-16-8-11(7-15(20)17(16)27-2)6-13(10-21)18(23)22-14-5-3-4-12(9-14)19(24)25/h3-9H,1-2H3,(H,22,23)(H,24,25)