2-[diethoxyphosphoryl-(4-methylpiperazin-1-yl)methyl]-4-nitro-phenol hydrochloride

Systemtic Name: 2-[diethoxyphosphoryl-(4-methylpiperazin-1-yl)methyl]-4-nitro-phenol hydrochloride Openeye Name: 2-[diethoxyphosphoryl-(4-methylpiperazin-1-yl)methyl]-4-nitro-phenol hydrochloride CAS Name: 2-[diethoxyphosphoryl-(4-methyl-1-piperazinyl)methyl]-4-nitrophenol hydrochloride IUPAC Name: 2-[diethoxyphosphoryl-(4-methylpiperazin-1-yl)methyl]-4-nitrophenol hydrochloride Traditional Name: 2-[diethoxyphosphoryl-(4-methylpiperazino)methyl]-4-nitro-phenol hydrochloride Formula: C16H27ClN3O6P MolecularWeight: 423.828841

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=C(C=CC(=C1)[N+](=O)[O-])O)N2CCN(CC2)C)OCC.Cl

Isomeric SMILES

CCOP(=O)(C(C1=C(C=CC(=C1)[N+](=O)[O-])O)N2CCN(CC2)C)OCC.Cl

InChI

InChI=1S/C16H26N3O6P.ClH/c1-4-24-26(23,25-5-2)16(18-10-8-17(3)9-11-18)14-12-13(19(21)22)6-7-15(14)20;/h6-7,12,16,20H,4-5,8-11H2,1-3H3;1H