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

Systemtic Name: (2S)-2-azanyl-5-[[4-(2-nitrooxyethyl)phenyl]methoxy]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[4-(2-nitrooxyethyl)phenyl]methoxy]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[4-(2-nitrooxyethyl)phenyl]methoxy]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[4-(2-nitrooxyethyl)phenyl]methoxy]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-(2-nitrooxyethyl)benzyl]oxy-valeric acid Formula: C14H18N2O7 MolecularWeight: 326.30192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCO[N+](=O)[O-])COC(=O)CCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1CCO[N+](=O)[O-])COC(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C14H18N2O7/c15-12(14(18)19)5-6-13(17)22-9-11-3-1-10(2-4-11)7-8-23-16(20)21/h1-4,12H,5-9,15H2,(H,18,19)/t12-/m0/s1