2-[(4-nitro-1,3-benzothiazol-5-yl)amino]hexanoic acid

Systemtic Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]hexanoic acid Openeye Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]hexanoic acid CAS Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]hexanoic acid IUPAC Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]hexanoic acid Traditional Name: 2-[(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:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4S/c1-2-3-4-9(13(17)18)15-8-5-6-10-11(14-7-21-10)12(8)16(19)20/h5-7,9,15H,2-4H2,1H3,(H,17,18)