2-(3,5-dimethylphenoxy)-N-(5-nitro-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-(3,5-dimethylphenoxy)-N-(5-nitro-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-(3,5-dimethylphenoxy)-N-(5-nitrothiazol-2-yl)acetamide CAS Name: 2-(3,5-dimethylphenoxy)-N-(5-nitro-2-thiazolyl)acetamide IUPAC Name: 2-(3,5-dimethylphenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide Traditional Name: 2-(3,5-dimethylphenoxy)-N-(5-nitrothiazol-2-yl)acetamide Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])C

InChI

InChI=1S/C13H13N3O4S/c1-8-3-9(2)5-10(4-8)20-7-11(17)15-13-14-6-12(21-13)16(18)19/h3-6H,7H2,1-2H3,(H,14,15,17)