6-[[(2S,3R)-3-(3-nitro-4-oxidanyl-phenyl)oxiran-2-yl]amino]hexanoic acid

Systemtic Name: 6-[[(2S,3R)-3-(3-nitro-4-oxidanyl-phenyl)oxiran-2-yl]amino]hexanoic acid Openeye Name: 6-[[(2S,3R)-3-(4-hydroxy-3-nitro-phenyl)oxiran-2-yl]amino]hexanoic acid CAS Name: 6-[[(2S,3R)-3-(4-hydroxy-3-nitrophenyl)-2-oxiranyl]amino]hexanoic acid IUPAC Name: 6-[[(2S,3R)-3-(4-hydroxy-3-nitrophenyl)oxiran-2-yl]amino]hexanoic acid Traditional Name: 6-[[(2S,3R)-3-(4-hydroxy-3-nitro-phenyl)oxiran-2-yl]amino]hexanoic acid Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2C(O2)NCCCCCC(=O)O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1[C@@H]2[C@H](O2)NCCCCCC(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C14H18N2O6/c17-11-6-5-9(8-10(11)16(20)21)13-14(22-13)15-7-3-1-2-4-12(18)19/h5-6,8,13-15,17H,1-4,7H2,(H,18,19)/t13-,14+/m1/s1