6-nitro-4-(4-oxidanylbutyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-nitro-4-(4-oxidanylbutyl)-1,4-benzoxazin-3-one Openeye Name: 4-(4-hydroxybutyl)-6-nitro-1,4-benzoxazin-3-one CAS Name: 4-(4-hydroxybutyl)-6-nitro-1,4-benzoxazin-3-one IUPAC Name: 4-(4-hydroxybutyl)-6-nitro-1,4-benzoxazin-3-one Traditional Name: 4-(4-hydroxybutyl)-6-nitro-1,4-benzoxazin-3-one Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCCO

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCCO

InChI

InChI=1S/C12H14N2O5/c15-6-2-1-5-13-10-7-9(14(17)18)3-4-11(10)19-8-12(13)16/h3-4,7,15H,1-2,5-6,8H2