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

Systemtic Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]propanoic acid Openeye Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]propanoic acid CAS Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]propanoic acid IUPAC Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]propanoic acid Traditional Name: 2-[(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:

CC(C(=O)O)NC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)NC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O4S/c1-5(10(14)15)12-6-2-3-7-8(11-4-18-7)9(6)13(16)17/h2-5,12H,1H3,(H,14,15)