2-[(4-nitro-1,3-benzothiazol-5-yl)amino]ethanoic acid

Systemtic Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]ethanoic acid Openeye Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]acetic acid CAS Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]acetic acid IUPAC Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]acetic acid Traditional Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]acetic acid Formula: C9H7N3O4S MolecularWeight: 253.23458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1NCC(=O)O)[N+](=O)[O-])N=CS2

Isomeric SMILES

C1=CC2=C(C(=C1NCC(=O)O)[N+](=O)[O-])N=CS2

InChI

InChI=1S/C9H7N3O4S/c13-7(14)3-10-5-1-2-6-8(11-4-17-6)9(5)12(15)16/h1-2,4,10H,3H2,(H,13,14)