N-[(5-nitro-2-oxidanyl-phenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H18N2O4S/c20-14-7-6-13(19(22)23)8-12(14)10-18-17(21)16-9-11-4-2-1-3-5-15(11)24-16/h6-9,20H,1-5,10H2,(H,18,21)