4-(2,2-dimethyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)butylazanium

Systemtic Name: 4-(2,2-dimethyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)butylazanium Openeye Name: 4-(2,2-dimethyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)butylammonium CAS Name: 4-(2,2-dimethyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)butylammonium IUPAC Name: 4-(2,2-dimethyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)butylazanium Traditional Name: 4-(3-keto-2,2-dimethyl-6-nitro-1,4-benzoxazin-4-yl)butylammonium Formula: C14H20N3O4+ MolecularWeight: 294.3263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCC[NH3+])C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCC[NH3+])C

InChI

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