2-[3-[(6,7-dimethoxyquinolin-4-yl)-methyl-amino]propyl-(2-nitrooxyethyl)amino]ethyl nitrate

Systemtic Name: 2-[3-[(6,7-dimethoxyquinolin-4-yl)-methyl-amino]propyl-(2-nitrooxyethyl)amino]ethyl nitrate Openeye Name: 2-[3-[(6,7-dimethoxy-4-quinolyl)-methyl-amino]propyl-(2-nitrooxyethyl)amino]ethyl nitrate CAS Name: nitric acid 2-[3-[(6,7-dimethoxy-4-quinolinyl)-methylamino]propyl-(2-nitrooxyethyl)amino]ethyl ester IUPAC Name: 2-[3-[(6,7-dimethoxyquinolin-4-yl)-methylamino]propyl-(2-nitrooxyethyl)amino]ethyl nitrate Traditional Name: nitric acid 2-[3-[(6,7-dimethoxy-4-quinolyl)-methyl-amino]propyl-(2-nitrooxyethyl)amino]ethyl ester Formula: C19H27N5O8 MolecularWeight: 453.44638

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN(CCO[N+](=O)[O-])CCO[N+](=O)[O-])C1=C2C=C(C(=CC2=NC=C1)OC)OC

Isomeric SMILES

CN(CCCN(CCO[N+](=O)[O-])CCO[N+](=O)[O-])C1=C2C=C(C(=CC2=NC=C1)OC)OC

InChI

InChI=1S/C19H27N5O8/c1-21(7-4-8-22(9-11-31-23(25)26)10-12-32-24(27)28)17-5-6-20-16-14-19(30-3)18(29-2)13-15(16)17/h5-6,13-14H,4,7-12H2,1-3H3