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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)[C@H]3NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5/c26-22-15-8-4-5-9-17(15)23-21(24(22)12-14-6-2-1-3-7-14)16-10-19-20(30-13-29-19)11-18(16)25(27)28/h1-11,21,23H,12-13H2/t21-/m0/s1