3-[(7-chloranylquinolin-4-yl)amino]propane-1,2-diol dinitrate

Systemtic Name: 3-[(7-chloranylquinolin-4-yl)amino]propane-1,2-diol dinitrate Openeye Name: 3-[(7-chloro-4-quinolyl)amino]propane-1,2-diol dinitrate CAS Name: 3-[(7-chloro-4-quinolinyl)amino]propane-1,2-diol dinitrate IUPAC Name: 3-[(7-chloroquinolin-4-yl)amino]propane-1,2-diol dinitrate Traditional Name: 3-[(7-chloro-4-quinolyl)amino]propane-1,2-diol dinitrate Formula: C12H13ClN4O8-2 MolecularWeight: 376.70662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C=C1Cl)NCC(CO)O.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

C1=CC2=C(C=CN=C2C=C1Cl)NCC(CO)O.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C12H13ClN2O2.2NO3/c13-8-1-2-10-11(15-6-9(17)7-16)3-4-14-12(10)5-8;2*2-1(3)4/h1-5,9,16-17H,6-7H2,(H,14,15);;/q;2*-1