[1-nitrooxy-3-[(6,7,8-trimethoxyquinazolin-4-yl)amino]propan-2-yl] nitrate

Systemtic Name: [1-nitrooxy-3-[(6,7,8-trimethoxyquinazolin-4-yl)amino]propan-2-yl] nitrate Openeye Name: [1-(nitrooxymethyl)-2-[(6,7,8-trimethoxyquinazolin-4-yl)amino]ethyl] nitrate CAS Name: nitric acid [1-nitrooxy-3-[(6,7,8-trimethoxy-4-quinazolinyl)amino]propan-2-yl] ester IUPAC Name: [1-nitrooxy-3-[(6,7,8-trimethoxyquinazolin-4-yl)amino]propan-2-yl] nitrate Traditional Name: nitric acid [1-(nitrooxymethyl)-2-[(6,7,8-trimethoxyquinazolin-4-yl)amino]ethyl] ester Formula: C14H17N5O9 MolecularWeight: 399.31288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=NC=N2)NCC(CO[N+](=O)[O-])O[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=NC=N2)NCC(CO[N+](=O)[O-])O[N+](=O)[O-])OC)OC

InChI

InChI=1S/C14H17N5O9/c1-24-10-4-9-11(13(26-3)12(10)25-2)16-7-17-14(9)15-5-8(28-19(22)23)6-27-18(20)21/h4,7-8H,5-6H2,1-3H3,(H,15,16,17)