3-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-3-nitro-phenyl]-1,2-dihydroquinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-3-nitro-phenyl]-1,2-dihydroquinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-3-nitro-phenyl]-1,2-dihydroquinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-3-nitrophenyl]-1,2-dihydroquinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-3-nitrophenyl]-1,2-dihydroquinazolin-4-one Traditional Name: 2-[4-(dimethylamino)-3-nitro-phenyl]-3-piperonyl-1,2-dihydroquinazolin-4-one Formula: C24H22N4O5 MolecularWeight: 446.45528

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O5/c1-26(2)19-9-8-16(12-20(19)28(30)31)23-25-18-6-4-3-5-17(18)24(29)27(23)13-15-7-10-21-22(11-15)33-14-32-21/h3-12,23,25H,13-14H2,1-2H3