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

Systemtic Name: 6-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]hexanoate Openeye Name: 6-[[2-(4-hydroxy-3-nitro-phenyl)acetyl]amino]hexanoate CAS Name: 6-[[2-(4-hydroxy-3-nitrophenyl)-1-oxoethyl]amino]hexanoate IUPAC Name: 6-[[2-(4-hydroxy-3-nitrophenyl)acetyl]amino]hexanoate Traditional Name: 6-[[2-(4-hydroxy-3-nitro-phenyl)acetyl]amino]hexanoate Formula: C14H17N2O6- MolecularWeight: 309.29458

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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)/p-1