4-[methyl-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid

Systemtic Name: 4-[methyl-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid Openeye Name: 4-[methyl-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid CAS Name: 4-[methyl-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid IUPAC Name: 4-[methyl-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid Traditional Name: 4-[methyl-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butyric acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])N(C)CCCC(=O)O

Isomeric SMILES

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])N(C)CCCC(=O)O

InChI

InChI=1S/C13H15N3O4S/c1-8-14-9-6-10(15(2)5-3-4-13(17)18)11(16(19)20)7-12(9)21-8/h6-7H,3-5H2,1-2H3,(H,17,18)