2-[(5-tert-butyl-7-nitro-1,3-benzothiazol-2-yl)amino]ethanol

Systemtic Name: 2-[(5-tert-butyl-7-nitro-1,3-benzothiazol-2-yl)amino]ethanol Openeye Name: 2-[(5-tert-butyl-7-nitro-1,3-benzothiazol-2-yl)amino]ethanol CAS Name: 2-[(5-tert-butyl-7-nitro-1,3-benzothiazol-2-yl)amino]ethanol IUPAC Name: 2-[(5-tert-butyl-7-nitro-1,3-benzothiazol-2-yl)amino]ethanol Traditional Name: 2-[(5-tert-butyl-7-nitro-1,3-benzothiazol-2-yl)amino]ethanol Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=N2)NCCO

Isomeric SMILES

CC(C)(C)C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=N2)NCCO

InChI

InChI=1S/C13H17N3O3S/c1-13(2,3)8-6-9-11(10(7-8)16(18)19)20-12(15-9)14-4-5-17/h6-7,17H,4-5H2,1-3H3,(H,14,15)