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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S/c1-13(2,3)7-11(17)15-12-14-9-5-4-8(16(18)19)6-10(9)20-12/h4-6H,7H2,1-3H3,(H,14,15,17)