N-(3-cyano-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(3-cyano-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3,5-dinitro-benzamide CAS Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3,5-dinitro-benzamide Formula: C17H13N5O6S MolecularWeight: 415.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O6S/c1-9(23)20-3-2-13-14(7-18)17(29-15(13)8-20)19-16(24)10-4-11(21(25)26)6-12(5-10)22(27)28/h4-6H,2-3,8H2,1H3,(H,19,24)