methyl 4-[(2-bromophenyl)-(cyanomethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(2-bromophenyl)-(cyanomethyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-bromo-N-(cyanomethyl)anilino]-4-oxo-butanoate CAS Name: 4-[2-bromo-N-(cyanomethyl)anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-bromo-N-(cyanomethyl)anilino]-4-oxobutanoate Traditional Name: 4-[2-bromo-N-(cyanomethyl)anilino]-4-keto-butyric acid methyl ester Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N(CC#N)C1=CC=CC=C1Br

Isomeric SMILES

COC(=O)CCC(=O)N(CC#N)C1=CC=CC=C1Br

InChI

InChI=1S/C13H13BrN2O3/c1-19-13(18)7-6-12(17)16(9-8-15)11-5-3-2-4-10(11)14/h2-5H,6-7,9H2,1H3