1-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)proline Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])N3CCCC3C(=O)O

Isomeric SMILES

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])N3CCCC3C(=O)O

InChI

InChI=1S/C13H13N3O4S/c1-7-14-8-5-10(11(16(19)20)6-12(8)21-7)15-4-2-3-9(15)13(17)18/h5-6,9H,2-4H2,1H3,(H,17,18)