methyl 6-bromanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: methyl 6-bromanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexa-1,5-diene-1-carboxylate Openeye Name: methyl 6-bromo-3-(tert-butoxycarbonylamino)cyclohexa-1,5-diene-1-carboxylate CAS Name: 6-bromo-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclohexa-1,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexa-1,5-diene-1-carboxylate Traditional Name: 6-bromo-3-(tert-butoxycarbonylamino)cyclohexa-1,5-diene-1-carboxylic acid methyl ester Formula: C13H18BrNO4 MolecularWeight: 332.19032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC=C(C(=C1)C(=O)OC)Br

Isomeric SMILES

CC(C)(C)OC(=O)NC1CC=C(C(=C1)C(=O)OC)Br

InChI

InChI=1S/C13H18BrNO4/c1-13(2,3)19-12(17)15-8-5-6-10(14)9(7-8)11(16)18-4/h6-8H,5H2,1-4H3,(H,15,17)