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

Systemtic Name: 4-[2-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-(3-bromo-5-ethoxy-4-methoxy-phenyl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-(3-bromo-5-ethoxy-4-methoxy-phenyl)-1-cyano-vinyl]benzoic acid Formula: C19H16BrNO4 MolecularWeight: 402.23864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)OC

InChI

InChI=1S/C19H16BrNO4/c1-3-25-17-10-12(9-16(20)18(17)24-2)8-15(11-21)13-4-6-14(7-5-13)19(22)23/h4-10H,3H2,1-2H3,(H,22,23)