6-[(4-nitro-1,3-benzothiazol-5-yl)amino]hexanoic acid

Systemtic Name: 6-[(4-nitro-1,3-benzothiazol-5-yl)amino]hexanoic acid Openeye Name: 6-[(4-nitro-1,3-benzothiazol-5-yl)amino]hexanoic acid CAS Name: 6-[(4-nitro-1,3-benzothiazol-5-yl)amino]hexanoic acid IUPAC Name: 6-[(4-nitro-1,3-benzothiazol-5-yl)amino]hexanoic acid Traditional Name: 6-[(4-nitro-1,3-benzothiazol-5-yl)amino]hexanoic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1NCCCCCC(=O)O)[N+](=O)[O-])N=CS2

Isomeric SMILES

C1=CC2=C(C(=C1NCCCCCC(=O)O)[N+](=O)[O-])N=CS2

InChI

InChI=1S/C13H15N3O4S/c17-11(18)4-2-1-3-7-14-9-5-6-10-12(15-8-21-10)13(9)16(19)20/h5-6,8,14H,1-4,7H2,(H,17,18)