N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methyl-propanamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methyl-propanamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methyl-propanamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylpropanamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylpropanamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methyl-propionamide Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC2=C(C=C(C=C2S1)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)C(=O)NC1=NC2=C(C=C(C=C2S1)[N+](=O)[O-])OC

InChI

InChI=1S/C12H13N3O4S/c1-6(2)11(16)14-12-13-10-8(19-3)4-7(15(17)18)5-9(10)20-12/h4-6H,1-3H3,(H,13,14,16)