2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[(4,5-dimethoxy-2-nitrophenyl)methoxy-oxomethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonylamino]-3,3-dimethylbutanoic acid Traditional Name: 2-[(4,5-dimethoxy-2-nitro-benzyl)oxycarbonylamino]-3,3-dimethyl-butyric acid Formula: C16H22N2O8 MolecularWeight: 370.35448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)OCC1=CC(=C(C=C1[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)OCC1=CC(=C(C=C1[N+](=O)[O-])OC)OC

InChI

InChI=1S/C16H22N2O8/c1-16(2,3)13(14(19)20)17-15(21)26-8-9-6-11(24-4)12(25-5)7-10(9)18(22)23/h6-7,13H,8H2,1-5H3,(H,17,21)(H,19,20)