2-[1-[[[4-(nitrooxymethyl)phenyl]carbonylamino]methyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[[[4-(nitrooxymethyl)phenyl]carbonylamino]methyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[[[4-(nitrooxymethyl)benzoyl]amino]methyl]cyclohexyl]acetic acid CAS Name: 2-[1-[[[[4-(nitrooxymethyl)phenyl]-oxomethyl]amino]methyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[[[4-(nitrooxymethyl)benzoyl]amino]methyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[[[4-(nitrooxymethyl)benzoyl]amino]methyl]cyclohexyl]acetic acid Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6/c20-15(21)10-17(8-2-1-3-9-17)12-18-16(22)14-6-4-13(5-7-14)11-25-19(23)24/h4-7H,1-3,8-12H2,(H,18,22)(H,20,21)