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

Systemtic Name: 4-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid Openeye Name: 4-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid CAS Name: 4-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid IUPAC Name: 4-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid Traditional Name: 4-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butyric acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4S/c1-7-14-9-5-8(13-4-2-3-12(16)17)10(15(18)19)6-11(9)20-7/h5-6,13H,2-4H2,1H3,(H,16,17)