4-[2-methoxy-5-nitro-4-[(1S)-1-oxidanylethyl]phenoxy]butanoate

Systemtic Name: 4-[2-methoxy-5-nitro-4-[(1S)-1-oxidanylethyl]phenoxy]butanoate Openeye Name: 4-[4-[(1S)-1-hydroxyethyl]-2-methoxy-5-nitro-phenoxy]butanoate CAS Name: 4-[4-[(1S)-1-hydroxyethyl]-2-methoxy-5-nitrophenoxy]butanoate IUPAC Name: 4-[4-[(1S)-1-hydroxyethyl]-2-methoxy-5-nitrophenoxy]butanoate Traditional Name: 4-[4-[(1S)-1-hydroxyethyl]-2-methoxy-5-nitro-phenoxy]butyrate Formula: C13H16NO7- MolecularWeight: 298.26864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)[O-])OC)O

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)[O-])OC)O

InChI

InChI=1S/C13H17NO7/c1-8(15)9-6-11(20-2)12(7-10(9)14(18)19)21-5-3-4-13(16)17/h6-8,15H,3-5H2,1-2H3,(H,16,17)/p-1/t8-/m0/s1