3-ethyl-N-[2-[(4-fluorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]pyridin-1-ium-1-carboxamide

Systemtic Name: 3-ethyl-N-[2-[(4-fluorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]pyridin-1-ium-1-carboxamide Openeye Name: 3-ethyl-N-[2-(4-fluoroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]pyridin-1-ium-1-carboxamide CAS Name: 3-ethyl-N-[2-(4-fluoroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]-1-pyridin-1-iumcarboxamide IUPAC Name: 3-ethyl-N-[2-(4-fluoroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]pyridin-1-ium-1-carboxamide Traditional Name: 3-ethyl-N-[2-(4-fluoroanilino)-4-keto-6-nitro-1H-quinazolin-8-yl]pyridin-1-ium-1-carboxamide Formula: C22H18FN6O4+ MolecularWeight: 449.414523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C(=O)NC2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)N=C(N3)NC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=C[N+](=CC=C1)C(=O)NC2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)N=C(N3)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN6O4/c1-2-13-4-3-9-28(12-13)22(31)25-18-11-16(29(32)33)10-17-19(18)26-21(27-20(17)30)24-15-7-5-14(23)6-8-15/h3-12H,2H2,1H3,(H2-,24,25,26,27,30,31)/p+1