2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitro-benzoate

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitro-benzoate Openeye Name: 2-(tert-butoxycarbonylamino)-3-nitro-benzoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-nitrobenzoate IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-nitro-benzoate Formula: C12H13N2O6- MolecularWeight: 281.24142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H14N2O6/c1-12(2,3)20-11(17)13-9-7(10(15)16)5-4-6-8(9)14(18)19/h4-6H,1-3H3,(H,13,17)(H,15,16)/p-1