2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-phenyl]propanedioic acid

Systemtic Name: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-phenyl]propanedioic acid Openeye Name: 2-[3-(tert-butoxycarbonylamino)-4-nitro-phenyl]propanedioic acid CAS Name: 2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-nitrophenyl]propanedioic acid IUPAC Name: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitrophenyl]propanedioic acid Traditional Name: 2-[3-(tert-butoxycarbonylamino)-4-nitro-phenyl]malonic acid Formula: C14H16N2O8 MolecularWeight: 340.28544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O8/c1-14(2,3)24-13(21)15-8-6-7(4-5-9(8)16(22)23)10(11(17)18)12(19)20/h4-6,10H,1-3H3,(H,15,21)(H,17,18)(H,19,20)