2-azanyl-5-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-5-oxopentanoic acid Traditional Name: 2-amino-5-(4,5-dimethoxy-2-nitro-benzyl)oxy-5-keto-valeric acid Formula: C14H18N2O8 MolecularWeight: 342.30132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O8/c1-22-11-5-8(10(16(20)21)6-12(11)23-2)7-24-13(17)4-3-9(15)14(18)19/h5-6,9H,3-4,7,15H2,1-2H3,(H,18,19)