[5-nitro-6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-[3-(dimethylamino)propyl]carbamate

Systemtic Name: [5-nitro-6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-[3-(dimethylamino)propyl]carbamate Openeye Name: [5-nitro-6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-[3-(dimethylamino)propyl]carbamate CAS Name: N-[3-(dimethylamino)propyl]carbamic acid [5-nitro-6-[(octadecylamino)-oxomethyl]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [5-nitro-6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-[3-(dimethylamino)propyl]carbamate Traditional Name: N-[3-(dimethylamino)propyl]carbamic acid [5-nitro-6-(stearylcarbamoyl)cyclohex-3-en-1-yl]methyl ester Formula: C32H60N4O5 MolecularWeight: 580.8426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1C(CC=CC1[N+](=O)[O-])COC(=O)NCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1C(CC=CC1[N+](=O)[O-])COC(=O)NCCCN(C)C

InChI

InChI=1S/C32H60N4O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-31(37)30-28(22-20-23-29(30)36(39)40)27-41-32(38)34-25-21-26-35(2)3/h20,23,28-30H,4-19,21-22,24-27H2,1-3H3,(H,33,37)(H,34,38)