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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-(4-methyl-3-nitro-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-(4-methyl-3-nitro-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-yl)-2-(4-methyl-3-nitrophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-(4-methyl-3-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(4-methyl-3-nitro-phenyl)-1,2-dihydroquinazolin-4-one Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5/c1-13-6-7-14(10-18(13)25(27)28)21-23-17-5-3-2-4-16(17)22(26)24(21)15-8-9-19-20(11-15)30-12-29-19/h2-11,21,23H,12H2,1H3