2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-nitro-benzoic acid

Systemtic Name: 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-nitro-benzoic acid Openeye Name: 2-[tert-butoxycarbonyl(methyl)amino]-4-nitro-benzoic acid CAS Name: 2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-nitrobenzoic acid IUPAC Name: 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-nitrobenzoic acid Traditional Name: 2-[tert-butoxycarbonyl(methyl)amino]-4-nitro-benzoic acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-13(2,3)21-12(18)14(4)10-7-8(15(19)20)5-6-9(10)11(16)17/h5-7H,1-4H3,(H,16,17)