3-(cyclohex-3-en-1-ylcarbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-(cyclohex-3-en-1-ylcarbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid Openeye Name: 3-(cyclohex-3-ene-1-carbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid CAS Name: 3-[[1-cyclohex-3-enyl(oxo)methyl]amino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-(cyclohex-3-ene-1-carbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid Traditional Name: 3-(cyclohex-3-ene-1-carbonylamino)-5-(3-nitrophenyl)-2-thenoic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)NC2=C(SC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(CC=C1)C(=O)NC2=C(SC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H16N2O5S/c21-17(11-5-2-1-3-6-11)19-14-10-15(26-16(14)18(22)23)12-7-4-8-13(9-12)20(24)25/h1-2,4,7-11H,3,5-6H2,(H,19,21)(H,22,23)