[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C23H14FN3O7 MolecularWeight: 463.371563

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C23H14FN3O7/c24-13-5-7-14(8-6-13)26-21(25-17-4-2-1-3-15(17)22(26)28)11-32-23(29)16-9-19-20(34-12-33-19)10-18(16)27(30)31/h1-10H,11-12H2