4-chloranyl-N-[2-fluoranyl-5-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-fluoranyl-5-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-fluoro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-fluoro-5-(2-methyl-4-oxo-3-quinazolinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-fluoro-5-(4-keto-2-methyl-quinazolin-3-yl)phenyl]-3-nitro-benzamide Formula: C22H14ClFN4O4 MolecularWeight: 452.822363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H14ClFN4O4/c1-12-25-18-5-3-2-4-15(18)22(30)27(12)14-7-9-17(24)19(11-14)26-21(29)13-6-8-16(23)20(10-13)28(31)32/h2-11H,1H3,(H,26,29)