2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O3S/c1-4-13(2,3)11(17)15-12-14-9-6-5-8(16(18)19)7-10(9)20-12/h5-7H,4H2,1-3H3,(H,14,15,17)