2-[(4-nitro-1,3-benzothiazol-5-yl)amino]propan-1-ol

Systemtic Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]propan-1-ol Openeye Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]propan-1-ol CAS Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]-1-propanol IUPAC Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]propan-1-ol Traditional Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]propan-1-ol Formula: C10H11N3O3S MolecularWeight: 253.27764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O3S/c1-6(4-14)12-7-2-3-8-9(11-5-17-8)10(7)13(15)16/h2-3,5-6,12,14H,4H2,1H3