4-[2-[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[5-(2-bromo-4-methyl-phenyl)-2-furyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[5-(2-bromo-4-methylphenyl)-2-furanyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[5-(2-bromo-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[5-(2-bromo-4-methyl-phenyl)-2-furyl]-1-cyano-vinyl]benzoic acid Formula: C21H14BrNO3 MolecularWeight: 408.24476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)Br

InChI

InChI=1S/C21H14BrNO3/c1-13-2-8-18(19(22)10-13)20-9-7-17(26-20)11-16(12-23)14-3-5-15(6-4-14)21(24)25/h2-11H,1H3,(H,24,25)