[2-(butylamino)-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C14H18BrNO4 MolecularWeight: 344.20102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=C(C=CC(=C1)OC)Br

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=C(C=CC(=C1)OC)Br

InChI

InChI=1S/C14H18BrNO4/c1-3-4-7-16-13(17)9-20-14(18)11-8-10(19-2)5-6-12(11)15/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17)