2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(2-nitrophenyl)quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(2-nitrophenyl)quinazolin-4-one Formula: C23H15N3O5 MolecularWeight: 413.3823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O5/c27-23-16-5-1-2-6-17(16)24-22(25(23)18-7-3-4-8-19(18)26(28)29)12-10-15-9-11-20-21(13-15)31-14-30-20/h1-13H,14H2/b12-10+