2-[1-[[[2-(nitrooxymethyl)phenyl]carbonyloxymethoxycarbonylamino]methyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[[[2-(nitrooxymethyl)phenyl]carbonyloxymethoxycarbonylamino]methyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[[[2-(nitrooxymethyl)benzoyl]oxymethoxycarbonylamino]methyl]cyclohexyl]acetic acid CAS Name: 2-[1-[[[[[2-(nitrooxymethyl)phenyl]-oxomethoxy]methoxy-oxomethyl]amino]methyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[[[2-(nitrooxymethyl)benzoyl]oxymethoxycarbonylamino]methyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[[[2-(nitrooxymethyl)benzoyl]oxymethoxycarbonylamino]methyl]cyclohexyl]acetic acid Formula: C19H24N2O9 MolecularWeight: 424.40186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)O)CNC(=O)OCOC(=O)C2=CC=CC=C2CO[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)(CC(=O)O)CNC(=O)OCOC(=O)C2=CC=CC=C2CO[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O9/c22-16(23)10-19(8-4-1-5-9-19)12-20-18(25)29-13-28-17(24)15-7-3-2-6-14(15)11-30-21(26)27/h2-3,6-7H,1,4-5,8-13H2,(H,20,25)(H,22,23)