7-nitroheptan-2-yl ethanoate

Systemtic Name: 7-nitroheptan-2-yl ethanoate Openeye Name: (1-methyl-6-nitro-hexyl) acetate CAS Name: acetic acid 7-nitroheptan-2-yl ester IUPAC Name: 7-nitroheptan-2-yl acetate Traditional Name: acetic acid (1-methyl-6-nitro-hexyl) ester Formula: C9H17NO4 MolecularWeight: 203.23558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO4/c1-8(14-9(2)11)6-4-3-5-7-10(12)13/h8H,3-7H2,1-2H3