2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-nitro-benzoic acid

Systemtic Name: 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-nitro-benzoic acid Openeye Name: 2-[(tert-butoxycarbonylamino)methyl]-3-nitro-benzoic acid CAS Name: 2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-nitrobenzoic acid IUPAC Name: 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-nitrobenzoic acid Traditional Name: 2-[(tert-butoxycarbonylamino)methyl]-3-nitro-benzoic acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C=CC=C1[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C=CC=C1[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H16N2O6/c1-13(2,3)21-12(18)14-7-9-8(11(16)17)5-4-6-10(9)15(19)20/h4-6H,7H2,1-3H3,(H,14,18)(H,16,17)