2-[[methyl-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[methyl-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methyl-amino]methyl]-1H-quinazolin-4-one Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H20N4O5/c1-22(11-18-20-17-8-3-2-7-16(17)19(25)21-18)10-14(24)12-28-15-6-4-5-13(9-15)23(26)27/h2-9,14,24H,10-12H2,1H3,(H,20,21,25)