2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(7-nitro-4-oxo-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(7-nitro-4-oxo-3-quinazolinyl)-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(7-nitro-4-oxoquinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(4-keto-7-nitro-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C17H11F3N4O4 MolecularWeight: 392.28885

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H11F3N4O4/c18-17(19,20)10-2-1-3-11(6-10)22-15(25)8-23-9-21-14-7-12(24(27)28)4-5-13(14)16(23)26/h1-7,9H,8H2,(H,22,25)