N',N'-diethyl-N-(6-nitroquinolin-4-yl)ethane-1,2-diamine diphosphate

Systemtic Name: N',N'-diethyl-N-(6-nitroquinolin-4-yl)ethane-1,2-diamine diphosphate Openeye Name: N',N'-diethyl-N-(6-nitro-4-quinolyl)ethane-1,2-diamine diphosphate CAS Name: N',N'-diethyl-N-(6-nitro-4-quinolinyl)ethane-1,2-diamine diphosphate IUPAC Name: N',N'-diethyl-N-(6-nitroquinolin-4-yl)ethane-1,2-diamine diphosphate Traditional Name: diethyl-[2-[(6-nitro-4-quinolyl)amino]ethyl]amine diphosphate Formula: C15H20N4O10P2-6 MolecularWeight: 478.287622

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C=C(C=CC2=NC=C1)[N+](=O)[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCN(CC)CCNC1=C2C=C(C=CC2=NC=C1)[N+](=O)[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C15H20N4O2.2H3O4P/c1-3-18(4-2)10-9-17-15-7-8-16-14-6-5-12(19(20)21)11-13(14)15;2*1-5(2,3)4/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17);2*(H3,1,2,3,4)/p-6