2-[1-[[[3-(nitrooxymethyl)phenyl]carbonyloxymethoxycarbonylamino]methyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[[[3-(nitrooxymethyl)phenyl]carbonyloxymethoxycarbonylamino]methyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[[[3-(nitrooxymethyl)benzoyl]oxymethoxycarbonylamino]methyl]cyclohexyl]acetic acid CAS Name: 2-[1-[[[[[3-(nitrooxymethyl)phenyl]-oxomethoxy]methoxy-oxomethyl]amino]methyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[[[3-(nitrooxymethyl)benzoyl]oxymethoxycarbonylamino]methyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[[[3-(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=C2)CO[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O9/c22-16(23)10-19(7-2-1-3-8-19)12-20-18(25)29-13-28-17(24)15-6-4-5-14(9-15)11-30-21(26)27/h4-6,9H,1-3,7-8,10-13H2,(H,20,25)(H,22,23)