(2S)-2-azanyl-5-[[4-(nitrooxymethyl)phenyl]methoxy]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[4-(nitrooxymethyl)phenyl]methoxy]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[4-(nitrooxymethyl)phenyl]methoxy]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[4-(nitrooxymethyl)phenyl]methoxy]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[4-(nitrooxymethyl)phenyl]methoxy]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-(nitrooxymethyl)benzyl]oxy-valeric acid Formula: C13H16N2O7 MolecularWeight: 312.27534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CCC(C(=O)O)N)CO[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CC[C@@H](C(=O)O)N)CO[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O7/c14-11(13(17)18)5-6-12(16)21-7-9-1-3-10(4-2-9)8-22-15(19)20/h1-4,11H,5-8,14H2,(H,17,18)/t11-/m0/s1