N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3,5-dinitro-benzamide Formula: C23H18N6O7 MolecularWeight: 490.42502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C23H18N6O7/c1-35-20-10-18-19(11-21(20)36-2)24-12-25-22(18)26-14-3-5-15(6-4-14)27-23(30)13-7-16(28(31)32)9-17(8-13)29(33)34/h3-12H,1-2H3,(H,27,30)(H,24,25,26)