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

Systemtic Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S/c1-7(2)5-11(16)14-12-13-9-4-3-8(15(17)18)6-10(9)19-12/h3-4,6-7H,5H2,1-2H3,(H,13,14,16)