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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitro-4-oxidanyl-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-hydroxy-3-nitro-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-hydroxy-3-nitrophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-hydroxy-3-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: 2-(4-hydroxy-3-nitro-phenyl)-3-piperonyl-1,2-dihydroquinazolin-4-one Formula: C22H17N3O6 MolecularWeight: 419.38688

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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)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O6/c26-18-7-6-14(10-17(18)25(28)29)21-23-16-4-2-1-3-15(16)22(27)24(21)11-13-5-8-19-20(9-13)31-12-30-19/h1-10,21,23,26H,11-12H2