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

Systemtic Name: 3-[2-carboxyethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanoic acid Openeye Name: 3-[2-carboxyethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanoic acid CAS Name: 3-[2-carboxyethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanoic acid IUPAC Name: 3-[2-carboxyethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanoic acid Traditional Name: 3-[2-carboxyethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propionic acid Formula: C13H13N3O6S MolecularWeight: 339.32382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)N(CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)N(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C13H13N3O6S/c17-11(18)3-5-15(6-4-12(19)20)13-14-9-2-1-8(16(21)22)7-10(9)23-13/h1-2,7H,3-6H2,(H,17,18)(H,19,20)