4-[diethoxyphosphoryl-(4-methylpiperazin-1-yl)methyl]-2-methoxy-3-nitro-phenol hydrochloride

Systemtic Name: 4-[diethoxyphosphoryl-(4-methylpiperazin-1-yl)methyl]-2-methoxy-3-nitro-phenol hydrochloride Openeye Name: 4-[diethoxyphosphoryl-(4-methylpiperazin-1-yl)methyl]-2-methoxy-3-nitro-phenol hydrochloride CAS Name: 4-[diethoxyphosphoryl-(4-methyl-1-piperazinyl)methyl]-2-methoxy-3-nitrophenol hydrochloride IUPAC Name: 4-[diethoxyphosphoryl-(4-methylpiperazin-1-yl)methyl]-2-methoxy-3-nitrophenol hydrochloride Traditional Name: 4-[diethoxyphosphoryl-(4-methylpiperazino)methyl]-2-methoxy-3-nitro-phenol hydrochloride Formula: C17H29ClN3O7P MolecularWeight: 453.854821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N3O7P.ClH/c1-5-26-28(24,27-6-2)17(19-11-9-18(3)10-12-19)13-7-8-14(21)16(25-4)15(13)20(22)23;/h7-8,17,21H,5-6,9-12H2,1-4H3;1H