(3-nitrophenyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate

Systemtic Name: (3-nitrophenyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: (3-nitrophenyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate CAS Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Traditional Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid (3-nitrophenyl) ester Formula: C16H15NO4S MolecularWeight: 317.3596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO4S/c18-16(21-13-7-4-6-12(10-13)17(19)20)15-9-11-5-2-1-3-8-14(11)22-15/h4,6-7,9-10H,1-3,5,8H2