4-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid

Systemtic Name: 4-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid Openeye Name: 4-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid CAS Name: 4-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid IUPAC Name: 4-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid Traditional Name: 4-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]butyric acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)O)C1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S/c1-14(6-2-3-10(16)17)8-4-5-9-11(13-7-20-9)12(8)15(18)19/h4-5,7H,2-3,6H2,1H3,(H,16,17)