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

Systemtic Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide Openeye Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide CAS Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-2-butenamide IUPAC Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide Traditional Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide Formula: C12H11N3O3S MolecularWeight: 277.29904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O3S/c1-7(2)5-11(16)14-12-13-9-4-3-8(15(17)18)6-10(9)19-12/h3-6H,1-2H3,(H,13,14,16)