propyl 4-[(3-bromophenyl)-(cyanomethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(3-bromophenyl)-(cyanomethyl)amino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[3-bromo-N-(cyanomethyl)anilino]-4-oxo-butanoate CAS Name: 4-[3-bromo-N-(cyanomethyl)anilino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[3-bromo-N-(cyanomethyl)anilino]-4-oxobutanoate Traditional Name: 4-[3-bromo-N-(cyanomethyl)anilino]-4-keto-butyric acid propyl ester Formula: C15H17BrN2O3 MolecularWeight: 353.21108

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)N(CC#N)C1=CC(=CC=C1)Br

Isomeric SMILES

CCCOC(=O)CCC(=O)N(CC#N)C1=CC(=CC=C1)Br

InChI

InChI=1S/C15H17BrN2O3/c1-2-10-21-15(20)7-6-14(19)18(9-8-17)13-5-3-4-12(16)11-13/h3-5,11H,2,6-7,9-10H2,1H3