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

Systemtic Name: 3-[[3-(5-bromanyl-2-phenylmethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(2-benzyloxy-5-bromo-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(5-bromo-2-phenylmethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(5-bromo-2-phenylmethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(2-benzoxy-5-bromo-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C24H17BrN2O4 MolecularWeight: 477.30678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C24H17BrN2O4/c25-20-9-10-22(31-15-16-5-2-1-3-6-16)18(12-20)11-19(14-26)23(28)27-21-8-4-7-17(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)