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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloranyl-5-nitro-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloro-5-nitro-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloro-5-nitrophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloro-5-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: 2-(2-chloro-5-nitro-phenyl)-3-piperonyl-1,2-dihydroquinazolin-4-one Formula: C22H16ClN3O5 MolecularWeight: 437.83254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O5/c23-17-7-6-14(26(28)29)10-16(17)21-24-18-4-2-1-3-15(18)22(27)25(21)11-13-5-8-19-20(9-13)31-12-30-19/h1-10,21,24H,11-12H2