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

Systemtic Name: 2-(4-methoxyphenyl)-3-[(3-nitro-2-oxidanyl-phenyl)methylamino]quinazolin-4-one Openeye Name: 3-[(2-hydroxy-3-nitro-phenyl)methylamino]-2-(4-methoxyphenyl)quinazolin-4-one CAS Name: 3-[(2-hydroxy-3-nitrophenyl)methylamino]-2-(4-methoxyphenyl)-4-quinazolinone IUPAC Name: 3-[(2-hydroxy-3-nitrophenyl)methylamino]-2-(4-methoxyphenyl)quinazolin-4-one Traditional Name: 3-[(2-hydroxy-3-nitro-benzyl)amino]-2-(4-methoxyphenyl)quinazolin-4-one Formula: C22H18N4O5 MolecularWeight: 418.40212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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