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

Systemtic Name: 3-[[3-(3-bromanyl-4-propan-2-yloxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(3-bromo-4-isopropoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(3-bromo-4-propan-2-yloxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(3-bromo-4-propan-2-yloxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(3-bromo-4-isopropoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C20H17BrN2O4/c1-12(2)27-18-7-6-13(9-17(18)21)8-15(11-22)19(24)23-16-5-3-4-14(10-16)20(25)26/h3-10,12H,1-2H3,(H,23,24)(H,25,26)