N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-3,5-dinitro-benzamide CAS Name: N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-3,5-dinitro-benzamide Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)SC(=C2C#N)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(CO1)SC(=C2C#N)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C17H14N4O6S/c1-17(2)6-12-13(7-18)16(28-14(12)8-27-17)19-15(22)9-3-10(20(23)24)5-11(4-9)21(25)26/h3-5H,6,8H2,1-2H3,(H,19,22)