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

Systemtic Name: 2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]propanoic acid Openeye Name: 2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]propanoic acid CAS Name: 2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]propanoic acid IUPAC Name: 2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]propanoic acid Traditional Name: 2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]propionic acid Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O4S/c1-5(11(15)16)12-7-3-8-10(19-6(2)13-8)4-9(7)14(17)18/h3-5,12H,1-2H3,(H,15,16)