8-(3,3-dimethoxy-1-nitro-propyl)-12-oxidanylidene-heptadec-10-enenitrile

Systemtic Name: 8-(3,3-dimethoxy-1-nitro-propyl)-12-oxidanylidene-heptadec-10-enenitrile Openeye Name: 8-(3,3-dimethoxy-1-nitro-propyl)-12-oxo-heptadec-10-enenitrile CAS Name: 8-(3,3-dimethoxy-1-nitropropyl)-12-oxo-10-heptadecenenitrile IUPAC Name: 8-(3,3-dimethoxy-1-nitropropyl)-12-oxoheptadec-10-enenitrile Traditional Name: 8-(3,3-dimethoxy-1-nitro-propyl)-12-keto-heptadec-10-enenitrile Formula: C22H38N2O5 MolecularWeight: 410.54752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CCC(CCCCCCC#N)C(CC(OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(=O)C=CCC(CCCCCCC#N)C(CC(OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H38N2O5/c1-4-5-9-15-20(25)16-12-14-19(13-10-7-6-8-11-17-23)21(24(26)27)18-22(28-2)29-3/h12,16,19,21-22H,4-11,13-15,18H2,1-3H3