4-butyl-8-nitro-4H-1,2-benzoxazin-3-one

Systemtic Name: 4-butyl-8-nitro-4H-1,2-benzoxazin-3-one Openeye Name: 4-butyl-8-nitro-4H-1,2-benzoxazin-3-one CAS Name: 4-butyl-8-nitro-4H-1,2-benzoxazin-3-one IUPAC Name: 4-butyl-8-nitro-4H-1,2-benzoxazin-3-one Traditional Name: 4-butyl-8-nitro-4H-1,2-benzoxazin-3-one Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(C(=CC=C2)[N+](=O)[O-])ONC1=O

Isomeric SMILES

CCCCC1C2=C(C(=CC=C2)[N+](=O)[O-])ONC1=O

InChI

InChI=1S/C12H14N2O4/c1-2-3-5-9-8-6-4-7-10(14(16)17)11(8)18-13-12(9)15/h4,6-7,9H,2-3,5H2,1H3,(H,13,15)