N-(7-chloranyl-6-nitro-quinolin-4-yl)-N',N'-diethyl-ethane-1,2-diamine; phosphoric acid

Systemtic Name: N-(7-chloranyl-6-nitro-quinolin-4-yl)-N',N'-diethyl-ethane-1,2-diamine; phosphoric acid Openeye Name: N-(7-chloro-6-nitro-4-quinolyl)-N',N'-diethyl-ethane-1,2-diamine; phosphoric acid CAS Name: N-(7-chloro-6-nitro-4-quinolinyl)-N',N'-diethylethane-1,2-diamine; phosphoric acid IUPAC Name: N-(7-chloro-6-nitroquinolin-4-yl)-N',N'-diethylethane-1,2-diamine; phosphoric acid Traditional Name: 2-[(7-chloro-6-nitro-4-quinolyl)amino]ethyl-diethyl-amine; phosphoric acid Formula: C15H25ClN4O10P2 MolecularWeight: 518.780322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN4O2.2H3O4P/c1-3-19(4-2)8-7-18-13-5-6-17-14-10-12(16)15(20(21)22)9-11(13)14;2*1-5(2,3)4/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18);2*(H3,1,2,3,4)