2-nitrotridecan-3-yl ethanoate

Systemtic Name: 2-nitrotridecan-3-yl ethanoate Openeye Name: 1-(1-nitroethyl)undecyl acetate CAS Name: acetic acid 2-nitrotridecan-3-yl ester IUPAC Name: 2-nitrotridecan-3-yl acetate Traditional Name: acetic acid 1-(1-nitroethyl)undecyl ester Formula: C15H29NO4 MolecularWeight: 287.39506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(C)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CCCCCCCCCCC(C(C)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C15H29NO4/c1-4-5-6-7-8-9-10-11-12-15(20-14(3)17)13(2)16(18)19/h13,15H,4-12H2,1-3H3