(3-nitro-4-propyl-heptan-4-yl) ethanoate

Systemtic Name: (3-nitro-4-propyl-heptan-4-yl) ethanoate Openeye Name: (2-nitro-1,1-dipropyl-butyl) acetate CAS Name: acetic acid (3-nitro-4-propylheptan-4-yl) ester IUPAC Name: (3-nitro-4-propylheptan-4-yl) acetate Traditional Name: acetic acid (2-nitro-1,1-dipropyl-butyl) ester Formula: C12H23NO4 MolecularWeight: 245.31532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO4/c1-5-8-12(9-6-2,17-10(4)14)11(7-3)13(15)16/h11H,5-9H2,1-4H3