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

Systemtic Name: 2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S/c1-12(2,3)10(16)14-11-13-8-5-4-7(15(17)18)6-9(8)19-11/h4-6H,1-3H3,(H,13,14,16)