3-[(4-nitro-1,3-benzothiazol-5-yl)amino]propanoic acid

Systemtic Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)amino]propanoic acid Openeye Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)amino]propanoic acid CAS Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)amino]propanoic acid IUPAC Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)amino]propanoic acid Traditional Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)amino]propionic acid Formula: C10H9N3O4S MolecularWeight: 267.26116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1NCCC(=O)O)[N+](=O)[O-])N=CS2

Isomeric SMILES

C1=CC2=C(C(=C1NCCC(=O)O)[N+](=O)[O-])N=CS2

InChI

InChI=1S/C10H9N3O4S/c14-8(15)3-4-11-6-1-2-7-9(12-5-18-7)10(6)13(16)17/h1-2,5,11H,3-4H2,(H,14,15)