2-azanyl-4-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl-methyl-amino]oxy-butanoic acid

Systemtic Name: 2-azanyl-4-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl-methyl-amino]oxy-butanoic acid Openeye Name: 2-amino-4-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl-methyl-amino]oxy-butanoic acid CAS Name: 2-amino-4-[[(4,5-dimethoxy-2-nitrophenyl)methoxy-oxomethyl]-methylamino]oxybutanoic acid IUPAC Name: 2-amino-4-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonyl-methylamino]oxybutanoic acid Traditional Name: 2-amino-4-[(4,5-dimethoxy-2-nitro-benzyl)oxycarbonyl-methyl-amino]oxy-butyric acid Formula: C15H21N3O9 MolecularWeight: 387.34194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O9/c1-17(27-5-4-10(16)14(19)20)15(21)26-8-9-6-12(24-2)13(25-3)7-11(9)18(22)23/h6-7,10H,4-5,8,16H2,1-3H3,(H,19,20)