3-nitro-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)benzoic acid

Systemtic Name: 3-nitro-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)benzoic acid Openeye Name: 3-nitro-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)benzoic acid CAS Name: 3-nitro-2-[oxo-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)methyl]benzoic acid IUPAC Name: 3-nitro-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)benzoic acid Traditional Name: 3-nitro-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)benzoic acid Formula: C15H13N3O5S MolecularWeight: 347.34582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H13N3O5S/c19-13(17-15-16-9-5-1-2-7-11(9)24-15)12-8(14(20)21)4-3-6-10(12)18(22)23/h3-4,6H,1-2,5,7H2,(H,20,21)(H,16,17,19)