4-(nitromethyl)heptan-4-yl ethanoate

Systemtic Name: 4-(nitromethyl)heptan-4-yl ethanoate Openeye Name: [1-(nitromethyl)-1-propyl-butyl] acetate CAS Name: acetic acid 4-(nitromethyl)heptan-4-yl ester IUPAC Name: 4-(nitromethyl)heptan-4-yl acetate Traditional Name: acetic acid [1-(nitromethyl)-1-propyl-butyl] ester Formula: C10H19NO4 MolecularWeight: 217.26216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19NO4/c1-4-6-10(7-5-2,8-11(13)14)15-9(3)12/h4-8H2,1-3H3