methyl 4-nitrohenicosanoate

Systemtic Name: methyl 4-nitrohenicosanoate Openeye Name: methyl 4-nitrohenicosanoate CAS Name: 4-nitroheneicosanoic acid methyl ester IUPAC Name: methyl 4-nitrohenicosanoate Traditional Name: 4-nitroheneicosanoic acid methyl ester Formula: C22H43NO4 MolecularWeight: 385.58112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H43NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23(25)26)19-20-22(24)27-2/h21H,3-20H2,1-2H3