methyl 2-methyl-7-nitro-4-oxidanylidene-heptanoate

Systemtic Name: methyl 2-methyl-7-nitro-4-oxidanylidene-heptanoate Openeye Name: methyl 2-methyl-7-nitro-4-oxo-heptanoate CAS Name: 2-methyl-7-nitro-4-oxoheptanoic acid methyl ester IUPAC Name: methyl 2-methyl-7-nitro-4-oxoheptanoate Traditional Name: 4-keto-2-methyl-7-nitro-enanthic acid methyl ester Formula: C9H15NO5 MolecularWeight: 217.2191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)CCC[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(CC(=O)CCC[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C9H15NO5/c1-7(9(12)15-2)6-8(11)4-3-5-10(13)14/h7H,3-6H2,1-2H3