2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-nitro-phenol

Systemtic Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-nitro-phenol Openeye Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-nitro-phenol CAS Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]-4-nitrophenol IUPAC Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-nitrophenol Traditional Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-nitro-phenol Formula: C17H13F3N4O5 MolecularWeight: 410.30413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N4O5/c1-28-13-6-9-10(7-14(13)29-2)22-16(17(18,19)20)23-15(9)21-11-5-8(24(26)27)3-4-12(11)25/h3-7,25H,1-2H3,(H,21,22,23)