5-nitro-2-(thian-4-ylamino)benzoic acid

Systemtic Name: 5-nitro-2-(thian-4-ylamino)benzoic acid Openeye Name: 5-nitro-2-(tetrahydrothiopyran-4-ylamino)benzoic acid CAS Name: 5-nitro-2-(4-thianylamino)benzoic acid IUPAC Name: 5-nitro-2-(thian-4-ylamino)benzoic acid Traditional Name: 5-nitro-2-(tetrahydrothiopyran-4-ylamino)benzoic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CSCCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H14N2O4S/c15-12(16)10-7-9(14(17)18)1-2-11(10)13-8-3-5-19-6-4-8/h1-2,7-8,13H,3-6H2,(H,15,16)