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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-(3-nitro-4-oxidanyl-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-3-nitro-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-3-nitrophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-3-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-3-nitro-phenyl)-1,2-dihydroquinazolin-4-one Formula: C21H15N3O6 MolecularWeight: 405.3603

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(NC4=CC=CC=C4C3=O)C5=CC(=C(C=C5)O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(NC4=CC=CC=C4C3=O)C5=CC(=C(C=C5)O)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O6/c25-17-7-5-12(9-16(17)24(27)28)20-22-15-4-2-1-3-14(15)21(26)23(20)13-6-8-18-19(10-13)30-11-29-18/h1-10,20,22,25H,11H2