3-chloranyl-N-(5-methyl-1,2-oxazol-3-yl)-6-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(5-methyl-1,2-oxazol-3-yl)-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(5-methylisoxazol-3-yl)-6-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(5-methyl-3-isoxazolyl)-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(5-methylisoxazol-3-yl)-6-nitro-benzothiophene-2-carboxamide Formula: C13H8ClN3O4S MolecularWeight: 337.73832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H8ClN3O4S/c1-6-4-10(16-21-6)15-13(18)12-11(14)8-3-2-7(17(19)20)5-9(8)22-12/h2-5H,1H3,(H,15,16,18)