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

Systemtic Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid Openeye Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid CAS Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid IUPAC Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid Traditional Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]butyric acid Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O4S/c1-2-6(11(15)16)13-7-3-4-8-9(12-5-19-8)10(7)14(17)18/h3-6,13H,2H2,1H3,(H,15,16)