4-[(Z)-2-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[(Z)-2-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[(Z)-2-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[(Z)-2-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[(Z)-2-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-1-cyanoethenyl]benzoic acid Traditional Name: 4-[(Z)-2-(3-bromo-5-methoxy-4-propargyloxy-phenyl)-1-cyano-vinyl]benzoic acid Formula: C20H14BrNO4 MolecularWeight: 412.23346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrNO4/c1-3-8-26-19-17(21)10-13(11-18(19)25-2)9-16(12-22)14-4-6-15(7-5-14)20(23)24/h1,4-7,9-11H,8H2,2H3,(H,23,24)/b16-9+