methyl 4-[(4-bromanyl-3-oxidanylidene-butyl)-methyl-amino]benzoate

Systemtic Name: methyl 4-[(4-bromanyl-3-oxidanylidene-butyl)-methyl-amino]benzoate Openeye Name: methyl 4-[(4-bromo-3-oxo-butyl)-methyl-amino]benzoate CAS Name: 4-[(4-bromo-3-oxobutyl)-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-bromo-3-oxobutyl)-methylamino]benzoate Traditional Name: 4-[(4-bromo-3-keto-butyl)-methyl-amino]benzoic acid methyl ester Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)CBr)C1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CN(CCC(=O)CBr)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H16BrNO3/c1-15(8-7-12(16)9-14)11-5-3-10(4-6-11)13(17)18-2/h3-6H,7-9H2,1-2H3