ethanoic acid; 3-methyl-4-(1-nitroethyl)cyclopentan-1-one

Systemtic Name: ethanoic acid; 3-methyl-4-(1-nitroethyl)cyclopentan-1-one Openeye Name: acetic acid; 3-methyl-4-(1-nitroethyl)cyclopentanone CAS Name: acetic acid; 3-methyl-4-(1-nitroethyl)-1-cyclopentanone IUPAC Name: acetic acid; 3-methyl-4-(1-nitroethyl)cyclopentan-1-one Traditional Name: acetic acid; 3-methyl-4-(1-nitroethyl)cyclopentanone Formula: C10H17NO5 MolecularWeight: 231.24568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC1C(C)[N+](=O)[O-].CC(=O)O

Isomeric SMILES

CC1CC(=O)CC1C(C)[N+](=O)[O-].CC(=O)O

InChI

InChI=1S/C8H13NO3.C2H4O2/c1-5-3-7(10)4-8(5)6(2)9(11)12;1-2(3)4/h5-6,8H,3-4H2,1-2H3;1H3,(H,3,4)