[2-(3-azanyl-3-oxidanylidene-propyl)-5-nitro-phenyl] N-[3-(dimethylamino)propyl]-N-octadecyl-carbamate

Systemtic Name: [2-(3-azanyl-3-oxidanylidene-propyl)-5-nitro-phenyl] N-[3-(dimethylamino)propyl]-N-octadecyl-carbamate Openeye Name: [2-(3-amino-3-oxo-propyl)-5-nitro-phenyl] N-[3-(dimethylamino)propyl]-N-octadecyl-carbamate CAS Name: N-[3-(dimethylamino)propyl]-N-octadecylcarbamic acid [2-(3-amino-3-oxopropyl)-5-nitrophenyl] ester IUPAC Name: [2-(3-amino-3-oxopropyl)-5-nitrophenyl] N-[3-(dimethylamino)propyl]-N-octadecylcarbamate Traditional Name: N-[3-(dimethylamino)propyl]-N-stearyl-carbamic acid [2-(3-amino-3-keto-propyl)-5-nitro-phenyl] ester Formula: C33H58N4O5 MolecularWeight: 590.83742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCN(C)C)C(=O)OC1=C(C=CC(=C1)[N+](=O)[O-])CCC(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCN(C)C)C(=O)OC1=C(C=CC(=C1)[N+](=O)[O-])CCC(=O)N

InChI

InChI=1S/C33H58N4O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-36(27-20-25-35(2)3)33(39)42-31-28-30(37(40)41)23-21-29(31)22-24-32(34)38/h21,23,28H,4-20,22,24-27H2,1-3H3,(H2,34,38)