3-[(4-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid

Systemtic Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid Openeye Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid CAS Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid IUPAC Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid Traditional Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)amino]butyric acid Formula: C11H11N3O4S MolecularWeight: 281.28774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)NC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O4S/c1-6(4-9(15)16)13-7-2-3-8-10(12-5-19-8)11(7)14(17)18/h2-3,5-6,13H,4H2,1H3,(H,15,16)