(2S)-3-(4-fluorophenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-(4-fluorophenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-(4-fluorophenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-(4-fluorophenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-(4-fluorophenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-(4-fluorophenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Formula: C21H14FN3O5 MolecularWeight: 407.351363

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C3NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)[C@H]3NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C21H14FN3O5/c22-12-5-7-13(8-6-12)24-20(23-16-4-2-1-3-14(16)21(24)26)15-9-18-19(30-11-29-18)10-17(15)25(27)28/h1-10,20,23H,11H2/t20-/m0/s1