3-[(6-nitro-1,3-benzothiazol-2-yl)-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate

Systemtic Name: 3-[(6-nitro-1,3-benzothiazol-2-yl)-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate Openeye Name: 3-[(6-nitro-1,3-benzothiazol-2-yl)-(3-oxido-3-oxo-propyl)amino]propanoate CAS Name: 3-[(6-nitro-1,3-benzothiazol-2-yl)-(3-oxido-3-oxopropyl)amino]propanoate IUPAC Name: 3-[(6-nitro-1,3-benzothiazol-2-yl)-(3-oxido-3-oxopropyl)amino]propanoate Traditional Name: 3-[(3-keto-3-oxido-propyl)-(6-nitro-1,3-benzothiazol-2-yl)amino]propionate Formula: C13H11N3O6S-2 MolecularWeight: 337.30794

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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)/p-2