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

Systemtic Name: (2S)-3-(4-methylphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(6-nitro-1,3-benzodioxol-5-yl)-3-(p-tolyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-(4-methylphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-(4-methylphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(6-nitro-1,3-benzodioxol-5-yl)-3-(p-tolyl)-1,2-dihydroquinazolin-4-one Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@H](NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C22H17N3O5/c1-13-6-8-14(9-7-13)24-21(23-17-5-3-2-4-15(17)22(24)26)16-10-19-20(30-12-29-19)11-18(16)25(27)28/h2-11,21,23H,12H2,1H3/t21-/m0/s1