4-azanyl-2-[(R)-(3,4-dimethoxyphenyl)-nitro-methoxy]carbonyl-butanoic acid

Systemtic Name: 4-azanyl-2-[(R)-(3,4-dimethoxyphenyl)-nitro-methoxy]carbonyl-butanoic acid Openeye Name: 4-amino-2-[(R)-(3,4-dimethoxyphenyl)-nitro-methoxy]carbonyl-butanoic acid CAS Name: 4-amino-2-[[(R)-(3,4-dimethoxyphenyl)-nitromethoxy]-oxomethyl]butanoic acid IUPAC Name: 4-amino-2-[(R)-(3,4-dimethoxyphenyl)-nitromethoxy]carbonylbutanoic acid Traditional Name: 4-amino-2-[(R)-(3,4-dimethoxyphenyl)-nitro-methoxy]carbonyl-butyric acid Formula: C14H18N2O8 MolecularWeight: 342.30132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]([N+](=O)[O-])OC(=O)C(CCN)C(=O)O)OC

InChI

InChI=1S/C14H18N2O8/c1-22-10-4-3-8(7-11(10)23-2)12(16(20)21)24-14(19)9(5-6-15)13(17)18/h3-4,7,9,12H,5-6,15H2,1-2H3,(H,17,18)/t9?,12-/m1/s1