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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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