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

Systemtic Name: 2-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]ethanoic acid Openeye Name: 2-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]acetic acid CAS Name: 2-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]acetic acid IUPAC Name: 2-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]acetic acid Traditional Name: 2-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]acetic acid Formula: C10H9N3O4S MolecularWeight: 267.26116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N3O4S/c1-12(4-8(14)15)6-2-3-7-9(11-5-18-7)10(6)13(16)17/h2-3,5H,4H2,1H3,(H,14,15)