N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,5-dinitro-benzamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,5-dinitro-benzamide Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5S/c18-9-14-13-4-2-1-3-5-15(13)27-17(14)19-16(22)10-6-11(20(23)24)8-12(7-10)21(25)26/h6-8H,1-5H2,(H,19,22)