[2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-oxidanyl-propyl] 3-(4-methylpiperazin-1-yl)propanoate dihydrochloride

Systemtic Name: [2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-oxidanyl-propyl] 3-(4-methylpiperazin-1-yl)propanoate dihydrochloride Openeye Name: [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] 3-(4-methylpiperazin-1-yl)propanoate dihydrochloride CAS Name: 3-(4-methyl-1-piperazinyl)propanoic acid [2-[(2,2-dichloro-1-oxoethyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester dihydrochloride IUPAC Name: [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] 3-(4-methylpiperazin-1-yl)propanoate dihydrochloride Traditional Name: 3-(4-methylpiperazino)propionic acid [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester dihydrochloride Formula: C19H28Cl4N4O6 MolecularWeight: 550.26082

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC(=O)OCC(C(C2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)CCC(=O)OCC(C(C2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.Cl.Cl

InChI

InChI=1S/C19H26Cl2N4O6.2ClH/c1-23-8-10-24(11-9-23)7-6-16(26)31-12-15(22-19(28)18(20)21)17(27)13-2-4-14(5-3-13)25(29)30;;/h2-5,15,17-18,27H,6-12H2,1H3,(H,22,28);2*1H