(2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(4-nitrophenyl)-3-piperonyl-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)CN3C(NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3[C@H](NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

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