6-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(4-nitrophenyl)thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[4-(4-nitrophenyl)-2-thiazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-(4-nitrophenyl)thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C17H15N3O5S MolecularWeight: 373.3831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H15N3O5S/c21-15(12-3-1-2-4-13(12)16(22)23)19-17-18-14(9-26-17)10-5-7-11(8-6-10)20(24)25/h1-2,5-9,12-13H,3-4H2,(H,22,23)(H,18,19,21)