N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,4-dinitro-benzamide

Systemtic Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,4-dinitro-benzamide Openeye Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,4-dinitro-benzamide CAS Name: N-[4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenyl]-2,4-dinitrobenzamide IUPAC Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,4-dinitrobenzamide Traditional Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,4-dinitro-benzamide Formula: C23H18N6O7 MolecularWeight: 490.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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