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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-[4-(methylamino)-3-nitro-phenyl]-1,2-dihydroquinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-[4-(methylamino)-3-nitro-phenyl]-1,2-dihydroquinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[4-(methylamino)-3-nitrophenyl]-1,2-dihydroquinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-[4-(methylamino)-3-nitrophenyl]-1,2-dihydroquinazolin-4-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-[4-(methylamino)-3-nitro-phenyl]-1,2-dihydroquinazolin-4-one Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5/c1-23-17-8-6-13(10-18(17)26(28)29)21-24-16-5-3-2-4-15(16)22(27)25(21)14-7-9-19-20(11-14)31-12-30-19/h2-11,21,23-24H,12H2,1H3