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

Systemtic Name: 6-bromanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 6-bromo-3-(tert-butoxycarbonylamino)cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 6-bromo-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 6-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 6-bromo-3-(tert-butoxycarbonylamino)cyclohexa-1,5-diene-1-carboxylic acid Formula: C12H16BrNO4 MolecularWeight: 318.16374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrNO4/c1-12(2,3)18-11(17)14-7-4-5-9(13)8(6-7)10(15)16/h5-7H,4H2,1-3H3,(H,14,17)(H,15,16)