N-[2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]-3-fluoranyl-benzamide Openeye Name: N-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]-3-fluoro-benzamide CAS Name: N-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]-3-fluorobenzamide IUPAC Name: N-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]-3-fluorobenzamide Traditional Name: N-[2-(3,4-dichloroanilino)-4-keto-6-nitro-1H-quinazolin-8-yl]-3-fluoro-benzamide Formula: C21H12Cl2FN5O4 MolecularWeight: 488.255483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C(=O)NC2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)N=C(N3)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)F)C(=O)NC2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)N=C(N3)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H12Cl2FN5O4/c22-15-5-4-12(7-16(15)23)25-21-27-18-14(20(31)28-21)8-13(29(32)33)9-17(18)26-19(30)10-2-1-3-11(24)6-10/h1-9H,(H,26,30)(H2,25,27,28,31)