6-azanyl-3-butyl-5-nitro-3H-2-benzofuran-1-one

Systemtic Name: 6-azanyl-3-butyl-5-nitro-3H-2-benzofuran-1-one Openeye Name: 6-amino-3-butyl-5-nitro-3H-isobenzofuran-1-one CAS Name: 6-amino-3-butyl-5-nitro-3H-isobenzofuran-1-one IUPAC Name: 6-amino-3-butyl-5-nitro-3H-2-benzofuran-1-one Traditional Name: 6-amino-3-butyl-5-nitro-phthalide Formula: C12H14N2O4 MolecularWeight: 250.25056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=CC(=C(C=C2C(=O)O1)N)[N+](=O)[O-]

Isomeric SMILES

CCCCC1C2=CC(=C(C=C2C(=O)O1)N)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4/c1-2-3-4-11-7-6-10(14(16)17)9(13)5-8(7)12(15)18-11/h5-6,11H,2-4,13H2,1H3