[4-nitro-2-(octadecylcarbamoyl)phenyl]methyl N-[4-(dimethylamino)butyl]carbamate

Systemtic Name: [4-nitro-2-(octadecylcarbamoyl)phenyl]methyl N-[4-(dimethylamino)butyl]carbamate Openeye Name: [4-nitro-2-(octadecylcarbamoyl)phenyl]methyl N-[4-(dimethylamino)butyl]carbamate CAS Name: N-[4-(dimethylamino)butyl]carbamic acid [4-nitro-2-[(octadecylamino)-oxomethyl]phenyl]methyl ester IUPAC Name: [4-nitro-2-(octadecylcarbamoyl)phenyl]methyl N-[4-(dimethylamino)butyl]carbamate Traditional Name: N-[4-(dimethylamino)butyl]carbamic acid [4-nitro-2-(stearylcarbamoyl)benzyl] ester Formula: C33H58N4O5 MolecularWeight: 590.83742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)NCCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)NCCCCN(C)C

InChI

InChI=1S/C33H58N4O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-34-32(38)31-27-30(37(40)41)23-22-29(31)28-42-33(39)35-25-20-21-26-36(2)3/h22-23,27H,4-21,24-26,28H2,1-3H3,(H,34,38)(H,35,39)