[2-[4-(dimethylamino)butyl-methanoyl-amino]-19-(3-nitrophenyl)nonadecyl] carbamate

Systemtic Name: [2-[4-(dimethylamino)butyl-methanoyl-amino]-19-(3-nitrophenyl)nonadecyl] carbamate Openeye Name: [2-[4-(dimethylamino)butyl-formyl-amino]-19-(3-nitrophenyl)nonadecyl] carbamate CAS Name: carbamic acid [2-[4-(dimethylamino)butyl-formylamino]-19-(3-nitrophenyl)nonadecyl] ester IUPAC Name: [2-[4-(dimethylamino)butyl-formylamino]-19-(3-nitrophenyl)nonadecyl] carbamate Traditional Name: carbamic acid [2-[4-(dimethylamino)butyl-formyl-amino]-19-(3-nitrophenyl)nonadecyl] ester Formula: C33H58N4O5 MolecularWeight: 590.83742

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCN(C=O)C(CCCCCCCCCCCCCCCCCC1=CC(=CC=C1)[N+](=O)[O-])COC(=O)N

Isomeric SMILES

CN(C)CCCCN(C=O)C(CCCCCCCCCCCCCCCCCC1=CC(=CC=C1)[N+](=O)[O-])COC(=O)N

InChI

InChI=1S/C33H58N4O5/c1-35(2)25-18-19-26-36(29-38)32(28-42-33(34)39)23-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-30-22-20-24-31(27-30)37(40)41/h20,22,24,27,29,32H,3-19,21,23,25-26,28H2,1-2H3,(H2,34,39)