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

Systemtic Name: 6-(4-methylpentan-2-ylamino)-7-nitro-4H-1,4-benzoxazin-3-one Openeye Name: 6-(1,3-dimethylbutylamino)-7-nitro-4H-1,4-benzoxazin-3-one CAS Name: 6-(4-methylpentan-2-ylamino)-7-nitro-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(4-methylpentan-2-ylamino)-7-nitro-4H-1,4-benzoxazin-3-one Traditional Name: 6-(1,3-dimethylbutylamino)-7-nitro-4H-1,4-benzoxazin-3-one Formula: C14H19N3O4 MolecularWeight: 293.31836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C)NC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4/c1-8(2)4-9(3)15-10-5-11-13(6-12(10)17(19)20)21-7-14(18)16-11/h5-6,8-9,15H,4,7H2,1-3H3,(H,16,18)