4-(1-nitroethyl)heptan-4-yl ethanoate

Systemtic Name: 4-(1-nitroethyl)heptan-4-yl ethanoate Openeye Name: [1-(1-nitroethyl)-1-propyl-butyl] acetate CAS Name: acetic acid 4-(1-nitroethyl)heptan-4-yl ester IUPAC Name: 4-(1-nitroethyl)heptan-4-yl acetate Traditional Name: acetic acid [1-(1-nitroethyl)-1-propyl-butyl] ester Formula: C11H21NO4 MolecularWeight: 231.28874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO4/c1-5-7-11(8-6-2,16-10(4)13)9(3)12(14)15/h9H,5-8H2,1-4H3