methyl 2-bromanyl-3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzoate

Systemtic Name: methyl 2-bromanyl-3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzoate Openeye Name: methyl 2-bromo-3-(1-cyano-2-oxo-3-phenyl-propyl)benzoate CAS Name: 2-bromo-3-(1-cyano-2-oxo-3-phenylpropyl)benzoic acid methyl ester IUPAC Name: methyl 2-bromo-3-(1-cyano-2-oxo-3-phenylpropyl)benzoate Traditional Name: 2-bromo-3-(1-cyano-2-keto-3-phenyl-propyl)benzoic acid methyl ester Formula: C18H14BrNO3 MolecularWeight: 372.21266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)C(C#N)C(=O)CC2=CC=CC=C2)Br

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)C(C#N)C(=O)CC2=CC=CC=C2)Br

InChI

InChI=1S/C18H14BrNO3/c1-23-18(22)14-9-5-8-13(17(14)19)15(11-20)16(21)10-12-6-3-2-4-7-12/h2-9,15H,10H2,1H3