6-(2-methylpropylamino)-7-nitro-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-(2-methylpropylamino)-7-nitro-4H-1,4-benzoxazin-3-one Openeye Name: 6-(isobutylamino)-7-nitro-4H-1,4-benzoxazin-3-one CAS Name: 6-(2-methylpropylamino)-7-nitro-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(2-methylpropylamino)-7-nitro-4H-1,4-benzoxazin-3-one Traditional Name: 6-(isobutylamino)-7-nitro-4H-1,4-benzoxazin-3-one Formula: C12H15N3O4 MolecularWeight: 265.2652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O4/c1-7(2)5-13-8-3-9-11(4-10(8)15(17)18)19-6-12(16)14-9/h3-4,7,13H,5-6H2,1-2H3,(H,14,16)