6-(3-methoxypropylamino)-7-nitro-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-(3-methoxypropylamino)-7-nitro-4H-1,4-benzoxazin-3-one Openeye Name: 6-(3-methoxypropylamino)-7-nitro-4H-1,4-benzoxazin-3-one CAS Name: 6-(3-methoxypropylamino)-7-nitro-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(3-methoxypropylamino)-7-nitro-4H-1,4-benzoxazin-3-one Traditional Name: 6-(3-methoxypropylamino)-7-nitro-4H-1,4-benzoxazin-3-one Formula: C12H15N3O5 MolecularWeight: 281.2646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

Isomeric SMILES

COCCCNC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-19-4-2-3-13-8-5-9-11(6-10(8)15(17)18)20-7-12(16)14-9/h5-6,13H,2-4,7H2,1H3,(H,14,16)