(Z)-but-2-enedioate; 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate

Systemtic Name: (Z)-but-2-enedioate; 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate Openeye Name: (Z)-but-2-enedioate; 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate CAS Name: (Z)-2-butenedioate; nitric acid 5-[(6,7,8-trimethoxy-4-quinazolinyl)amino]pentyl ester IUPAC Name: (Z)-but-2-enedioate; 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate Traditional Name: nitric acid 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl ester maleate Formula: C20H24N4O10-2 MolecularWeight: 480.42536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=NC=N2)NCCCCCO[N+](=O)[O-])OC)OC.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=NC=N2)NCCCCCO[N+](=O)[O-])OC)OC.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C16H22N4O6.C4H4O4/c1-23-12-9-11-13(15(25-3)14(12)24-2)18-10-19-16(11)17-7-5-4-6-8-26-20(21)22;5-3(6)1-2-4(7)8/h9-10H,4-8H2,1-3H3,(H,17,18,19);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-