6-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]hexanoic acid Openeye Name: 6-[[2-(4-hydroxy-3-nitro-phenyl)acetyl]amino]hexanoic acid CAS Name: 6-[[2-(4-hydroxy-3-nitrophenyl)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(4-hydroxy-3-nitrophenyl)acetyl]amino]hexanoic acid Traditional Name: 6-[[2-(4-hydroxy-3-nitro-phenyl)acetyl]amino]hexanoic acid Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(=O)NCCCCCC(=O)O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1CC(=O)NCCCCCC(=O)O)[N+](=O)[O-])O

InChI

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