2-[(3,4-dichlorophenyl)amino]-N-[(4-fluorophenyl)methyl]-6-nitro-4-oxidanylidene-1H-quinazoline-8-carboxamide

Systemtic Name: 2-[(3,4-dichlorophenyl)amino]-N-[(4-fluorophenyl)methyl]-6-nitro-4-oxidanylidene-1H-quinazoline-8-carboxamide Openeye Name: 2-(3,4-dichloroanilino)-N-[(4-fluorophenyl)methyl]-6-nitro-4-oxo-1H-quinazoline-8-carboxamide CAS Name: 2-(3,4-dichloroanilino)-N-[(4-fluorophenyl)methyl]-6-nitro-4-oxo-1H-quinazoline-8-carboxamide IUPAC Name: 2-(3,4-dichloroanilino)-N-[(4-fluorophenyl)methyl]-6-nitro-4-oxo-1H-quinazoline-8-carboxamide Traditional Name: 2-(3,4-dichloroanilino)-N-(4-fluorobenzyl)-4-keto-6-nitro-1H-quinazoline-8-carboxamide Formula: C22H14Cl2FN5O4 MolecularWeight: 502.282063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)N=C(N3)NC4=CC(=C(C=C4)Cl)Cl)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)N=C(N3)NC4=CC(=C(C=C4)Cl)Cl)F

InChI

InChI=1S/C22H14Cl2FN5O4/c23-17-6-5-13(7-18(17)24)27-22-28-19-15(8-14(30(33)34)9-16(19)21(32)29-22)20(31)26-10-11-1-3-12(25)4-2-11/h1-9H,10H2,(H,26,31)(H2,27,28,29,32)