N-(2-methylpropyl)-4-nitro-1,3-benzothiazol-5-amine

Systemtic Name: N-(2-methylpropyl)-4-nitro-1,3-benzothiazol-5-amine Openeye Name: N-isobutyl-4-nitro-1,3-benzothiazol-5-amine CAS Name: N-(2-methylpropyl)-4-nitro-1,3-benzothiazol-5-amine IUPAC Name: N-(2-methylpropyl)-4-nitro-1,3-benzothiazol-5-amine Traditional Name: isobutyl-(4-nitro-1,3-benzothiazol-5-yl)amine Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O2S/c1-7(2)5-12-8-3-4-9-10(13-6-17-9)11(8)14(15)16/h3-4,6-7,12H,5H2,1-2H3