[2-carbonocyanidoyl-3-(2-methylprop-2-enoxy)phenyl]methyl 4-bromanylbenzoate

Systemtic Name: [2-carbonocyanidoyl-3-(2-methylprop-2-enoxy)phenyl]methyl 4-bromanylbenzoate Openeye Name: [2-carbonocyanidoyl-3-(2-methylallyloxy)phenyl]methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-carbonocyanidoyl-3-(2-methylprop-2-enoxy)phenyl]methyl ester IUPAC Name: [2-carbonocyanidoyl-3-(2-methylprop-2-enoxy)phenyl]methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-carbonocyanidoyl-3-(2-methylallyloxy)benzyl] ester Formula: C20H16BrNO4 MolecularWeight: 414.24934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=CC=CC(=C1C(=O)C#N)COC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(=C)COC1=CC=CC(=C1C(=O)C#N)COC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H16BrNO4/c1-13(2)11-25-18-5-3-4-15(19(18)17(23)10-22)12-26-20(24)14-6-8-16(21)9-7-14/h3-9H,1,11-12H2,2H3