N-(7-chloranyl-6-nitro-quinolin-4-yl)-N',N'-diethyl-propane-1,3-diamine diphosphate

Systemtic Name: N-(7-chloranyl-6-nitro-quinolin-4-yl)-N',N'-diethyl-propane-1,3-diamine diphosphate Openeye Name: N-(7-chloro-6-nitro-4-quinolyl)-N',N'-diethyl-propane-1,3-diamine diphosphate CAS Name: N-(7-chloro-6-nitro-4-quinolinyl)-N',N'-diethylpropane-1,3-diamine diphosphate IUPAC Name: N-(7-chloro-6-nitroquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine diphosphate Traditional Name: 3-[(7-chloro-6-nitro-4-quinolyl)amino]propyl-diethyl-amine diphosphate Formula: C16H21ClN4O10P2-6 MolecularWeight: 526.759262

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=C2C=C(C(=CC2=NC=C1)Cl)[N+](=O)[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCN(CC)CCCNC1=C2C=C(C(=CC2=NC=C1)Cl)[N+](=O)[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C16H21ClN4O2.2H3O4P/c1-3-20(4-2)9-5-7-18-14-6-8-19-15-11-13(17)16(21(22)23)10-12(14)15;2*1-5(2,3)4/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,18,19);2*(H3,1,2,3,4)/p-6