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

Systemtic Name: 2-azanyl-4-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]oxy-butanoic acid Openeye Name: 2-amino-4-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]oxy-butanoic acid CAS Name: 2-amino-4-[[(4,5-dimethoxy-2-nitrophenyl)methoxy-oxomethyl]amino]oxybutanoic acid IUPAC Name: 2-amino-4-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonylamino]oxybutanoic acid Traditional Name: 2-amino-4-[(4,5-dimethoxy-2-nitro-benzyl)oxycarbonylamino]oxy-butyric acid Formula: C14H19N3O9 MolecularWeight: 373.31536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)NOCCC(C(=O)O)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)NOCCC(C(=O)O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C14H19N3O9/c1-23-11-5-8(10(17(21)22)6-12(11)24-2)7-25-14(20)16-26-4-3-9(15)13(18)19/h5-6,9H,3-4,7,15H2,1-2H3,(H,16,20)(H,18,19)