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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-3-nitro-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-3-nitro-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-3-nitrophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-3-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: 2-(4-methyl-3-nitro-phenyl)-3-piperonyl-1,2-dihydroquinazolin-4-one Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O5/c1-14-6-8-16(11-19(14)26(28)29)22-24-18-5-3-2-4-17(18)23(27)25(22)12-15-7-9-20-21(10-15)31-13-30-20/h2-11,22,24H,12-13H2,1H3