6-nitro-1,1-bis(oxidanylidene)-N-(2,4,4-trimethylpentan-2-yl)-1,2-benzothiazol-3-amine

Systemtic Name: 6-nitro-1,1-bis(oxidanylidene)-N-(2,4,4-trimethylpentan-2-yl)-1,2-benzothiazol-3-amine Openeye Name: 6-nitro-1,1-dioxo-N-(1,1,3,3-tetramethylbutyl)-1,2-benzothiazol-3-amine CAS Name: 6-nitro-1,1-dioxo-N-(2,4,4-trimethylpentan-2-yl)-1,2-benzothiazol-3-amine IUPAC Name: 6-nitro-1,1-dioxo-N-(2,4,4-trimethylpentan-2-yl)-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)-(1,1,3,3-tetramethylbutyl)amine Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC1=NS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)NC1=NS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O4S/c1-14(2,3)9-15(4,5)16-13-11-7-6-10(18(19)20)8-12(11)23(21,22)17-13/h6-8H,9H2,1-5H3,(H,16,17)