N-(4,4-dimethyl-7-nitro-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-2-methyl-pentanamide

Systemtic Name: N-(4,4-dimethyl-7-nitro-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-2-methyl-pentanamide Openeye Name: N-(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)-2-methyl-pentanamide CAS Name: N-(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)-2-methylpentanamide IUPAC Name: N-(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)-2-methylpentanamide Traditional Name: N-(2-keto-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-6-yl)-2-methyl-valeramide Formula: C16H21N3O5 MolecularWeight: 335.35504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=C(C=C2C(=C1)C(OC(=O)N2)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)C(=O)NC1=C(C=C2C(=C1)C(OC(=O)N2)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5/c1-5-6-9(2)14(20)17-12-7-10-11(8-13(12)19(22)23)18-15(21)24-16(10,3)4/h7-9H,5-6H2,1-4H3,(H,17,20)(H,18,21)