2-cyano-2-[7-(4-nitrophenyl)-5-oxidanyl-1,3-benzoxathiol-2-ylidene]ethanamide

Systemtic Name: 2-cyano-2-[7-(4-nitrophenyl)-5-oxidanyl-1,3-benzoxathiol-2-ylidene]ethanamide Openeye Name: 2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide CAS Name: 2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide IUPAC Name: 2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide Traditional Name: 2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide Formula: C16H9N3O5S MolecularWeight: 355.32476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=CC3=C2OC(=C(C#N)C(=O)N)S3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=CC3=C2OC(=C(C#N)C(=O)N)S3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H9N3O5S/c17-7-12(15(18)21)16-24-14-11(5-10(20)6-13(14)25-16)8-1-3-9(4-2-8)19(22)23/h1-6,20H,(H2,18,21)