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

Systemtic Name: ethyl 4-[(2-bromophenyl)-(cyanomethyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[2-bromo-N-(cyanomethyl)anilino]-4-oxo-butanoate CAS Name: 4-[2-bromo-N-(cyanomethyl)anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-bromo-N-(cyanomethyl)anilino]-4-oxobutanoate Traditional Name: 4-[2-bromo-N-(cyanomethyl)anilino]-4-keto-butyric acid ethyl ester Formula: C14H15BrN2O3 MolecularWeight: 339.1845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O3/c1-2-20-14(19)8-7-13(18)17(10-9-16)12-6-4-3-5-11(12)15/h3-6H,2,7-8,10H2,1H3