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

Systemtic Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]butan-1-ol Openeye Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]butan-1-ol CAS Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]-1-butanol IUPAC Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]butan-1-ol Traditional Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]butan-1-ol Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O3S/c1-2-7(5-15)13-8-3-4-9-10(12-6-18-9)11(8)14(16)17/h3-4,6-7,13,15H,2,5H2,1H3