2-(4-cyano-6-ethyl-5-nitro-1,2-benzothiazol-3-yl)ethanoic acid

Systemtic Name: 2-(4-cyano-6-ethyl-5-nitro-1,2-benzothiazol-3-yl)ethanoic acid Openeye Name: 2-(4-cyano-6-ethyl-5-nitro-1,2-benzothiazol-3-yl)acetic acid CAS Name: 2-(4-cyano-6-ethyl-5-nitro-1,2-benzothiazol-3-yl)acetic acid IUPAC Name: 2-(4-cyano-6-ethyl-5-nitro-1,2-benzothiazol-3-yl)acetic acid Traditional Name: 2-(4-cyano-6-ethyl-5-nitro-1,2-benzothiazol-3-yl)acetic acid Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=NS2)CC(=O)O)C(=C1[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=CC2=C(C(=NS2)CC(=O)O)C(=C1[N+](=O)[O-])C#N

InChI

InChI=1S/C12H9N3O4S/c1-2-6-3-9-11(7(5-13)12(6)15(18)19)8(14-20-9)4-10(16)17/h3H,2,4H2,1H3,(H,16,17)