2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitro-2-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitro-2-oxidanyl-phenyl)propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(2-hydroxy-3-nitro-phenyl)propanoic acid CAS Name: 3-(2-hydroxy-3-nitrophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-hydroxy-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(2-hydroxy-3-nitro-phenyl)propionic acid Formula: C14H18N2O7 MolecularWeight: 326.30192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=C(C(=CC=C1)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=C(C(=CC=C1)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C14H18N2O7/c1-14(2,3)23-13(20)15-9(12(18)19)7-8-5-4-6-10(11(8)17)16(21)22/h4-6,9,17H,7H2,1-3H3,(H,15,20)(H,18,19)