dimethyl 5-(2-bromanylethanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-bromanylethanoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-bromoacetyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(2-bromo-1-oxoethyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-bromoacetyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-bromoacetyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C12H12BrNO5 MolecularWeight: 330.13138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CBr)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CBr)C(=O)OC

InChI

InChI=1S/C12H12BrNO5/c1-18-11(16)7-3-8(12(17)19-2)5-9(4-7)14-10(15)6-13/h3-5H,6H2,1-2H3,(H,14,15)