N-(2-cyanoethyl)-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)butanamide

Systemtic Name: N-(2-cyanoethyl)-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)butanamide Openeye Name: N-(2-cyanoethyl)-3-methyl-N-(5-nitrothiazol-2-yl)butanamide CAS Name: N-(2-cyanoethyl)-3-methyl-N-(5-nitro-2-thiazolyl)butanamide IUPAC Name: N-(2-cyanoethyl)-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)butanamide Traditional Name: N-(2-cyanoethyl)-3-methyl-N-(5-nitrothiazol-2-yl)butyramide Formula: C11H14N4O3S MolecularWeight: 282.31886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CCC#N)C1=NC=C(S1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)N(CCC#N)C1=NC=C(S1)[N+](=O)[O-]

InChI

InChI=1S/C11H14N4O3S/c1-8(2)6-9(16)14(5-3-4-12)11-13-7-10(19-11)15(17)18/h7-8H,3,5-6H2,1-2H3