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

Systemtic Name: N-[4-chloranyl-2-(trifluoromethyl)phenyl]-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(7-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(7-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-keto-7-nitro-quinazolin-3-yl)acetamide Formula: C17H10ClF3N4O4 MolecularWeight: 426.73391

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N=CN(C2=O)CC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=CN(C2=O)CC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H10ClF3N4O4/c18-9-1-4-13(12(5-9)17(19,20)21)23-15(26)7-24-8-22-14-6-10(25(28)29)2-3-11(14)16(24)27/h1-6,8H,7H2,(H,23,26)