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

Systemtic Name: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-phenyl]ethanoic acid Openeye Name: 2-[3-(tert-butoxycarbonylamino)-4-nitro-phenyl]acetic acid CAS Name: 2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-nitrophenyl]acetic acid IUPAC Name: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitrophenyl]acetic acid Traditional Name: 2-[3-(tert-butoxycarbonylamino)-4-nitro-phenyl]acetic acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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