8-[(2-methoxy-4-nitro-phenyl)carbonylamino]octanoic acid

Systemtic Name: 8-[(2-methoxy-4-nitro-phenyl)carbonylamino]octanoic acid Openeye Name: 8-[(2-methoxy-4-nitro-benzoyl)amino]octanoic acid CAS Name: 8-[[(2-methoxy-4-nitrophenyl)-oxomethyl]amino]octanoic acid IUPAC Name: 8-[(2-methoxy-4-nitrobenzoyl)amino]octanoic acid Traditional Name: 8-[(2-methoxy-4-nitro-benzoyl)amino]caprylic acid Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)NCCCCCCCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C16H22N2O6/c1-24-14-11-12(18(22)23)8-9-13(14)16(21)17-10-6-4-2-3-5-7-15(19)20/h8-9,11H,2-7,10H2,1H3,(H,17,21)(H,19,20)