3-[3-(methylamino)-2-oxidanyl-propyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-[3-(methylamino)-2-oxidanyl-propyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[2-hydroxy-3-(methylamino)propyl]-6-nitro-quinazolin-4-one CAS Name: 3-[2-hydroxy-3-(methylamino)propyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[2-hydroxy-3-(methylamino)propyl]-6-nitroquinazolin-4-one Traditional Name: 3-[2-hydroxy-3-(methylamino)propyl]-6-nitro-quinazolin-4-one Formula: C12H14N4O4 MolecularWeight: 278.26396

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(CN1C=NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CNCC(CN1C=NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H14N4O4/c1-13-5-9(17)6-15-7-14-11-3-2-8(16(19)20)4-10(11)12(15)18/h2-4,7,9,13,17H,5-6H2,1H3