(4S)-4-azanyl-5-(4,5-dimethoxy-2-nitro-phenoxy)-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-(4,5-dimethoxy-2-nitro-phenoxy)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-(4,5-dimethoxy-2-nitro-phenoxy)-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-(4,5-dimethoxy-2-nitrophenoxy)-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-(4,5-dimethoxy-2-nitrophenoxy)-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-(4,5-dimethoxy-2-nitro-phenoxy)-5-keto-valeric acid Formula: C13H16N2O8 MolecularWeight: 328.27474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O8/c1-21-10-5-8(15(19)20)9(6-11(10)22-2)23-13(18)7(14)3-4-12(16)17/h5-7H,3-4,14H2,1-2H3,(H,16,17)/t7-/m0/s1