3-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromanyl-3-nitro-phenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromanyl-3-nitro-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-3-nitro-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-3-nitrophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-3-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: 2-(4-bromo-3-nitro-phenyl)-3-piperonyl-1,2-dihydroquinazolin-4-one Formula: C22H16BrN3O5 MolecularWeight: 482.28354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(NC4=CC=CC=C4C3=O)C5=CC(=C(C=C5)Br)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(NC4=CC=CC=C4C3=O)C5=CC(=C(C=C5)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H16BrN3O5/c23-16-7-6-14(10-18(16)26(28)29)21-24-17-4-2-1-3-15(17)22(27)25(21)11-13-5-8-19-20(9-13)31-12-30-19/h1-10,21,24H,11-12H2