2-(3,4-dimethoxyphenyl)-3-[(3-nitro-2-oxidanyl-phenyl)methylamino]quinazolin-4-one

Systemtic Name: 2-(3,4-dimethoxyphenyl)-3-[(3-nitro-2-oxidanyl-phenyl)methylamino]quinazolin-4-one Openeye Name: 2-(3,4-dimethoxyphenyl)-3-[(2-hydroxy-3-nitro-phenyl)methylamino]quinazolin-4-one CAS Name: 2-(3,4-dimethoxyphenyl)-3-[(2-hydroxy-3-nitrophenyl)methylamino]-4-quinazolinone IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-[(2-hydroxy-3-nitrophenyl)methylamino]quinazolin-4-one Traditional Name: 2-(3,4-dimethoxyphenyl)-3-[(2-hydroxy-3-nitro-benzyl)amino]quinazolin-4-one Formula: C23H20N4O6 MolecularWeight: 448.4281

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4=C(C(=CC=C4)[N+](=O)[O-])O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4=C(C(=CC=C4)[N+](=O)[O-])O)OC

InChI

InChI=1S/C23H20N4O6/c1-32-19-11-10-14(12-20(19)33-2)22-25-17-8-4-3-7-16(17)23(29)26(22)24-13-15-6-5-9-18(21(15)28)27(30)31/h3-12,24,28H,13H2,1-2H3