N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-fluoranyl-5-nitro-benzamide

Systemtic Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-fluoranyl-5-nitro-benzamide Openeye Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-fluoro-5-nitro-benzamide CAS Name: N-[4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenyl]-2-fluoro-5-nitrobenzamide IUPAC Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-fluoro-5-nitrobenzamide Traditional Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-fluoro-5-nitro-benzamide Formula: C23H18FN5O5 MolecularWeight: 463.417923

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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=CC(=C4)[N+](=O)[O-])F)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H18FN5O5/c1-33-20-10-17-19(11-21(20)34-2)25-12-26-22(17)27-13-3-5-14(6-4-13)28-23(30)16-9-15(29(31)32)7-8-18(16)24/h3-12H,1-2H3,(H,28,30)(H,25,26,27)