2-(5-chloranyl-6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoic acid

Systemtic Name: 2-(5-chloranyl-6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoic acid Openeye Name: 2-(5-chloro-6-nitro-2-oxo-1,3-benzothiazol-3-yl)acetic acid CAS Name: 2-(5-chloro-6-nitro-2-oxo-1,3-benzothiazol-3-yl)acetic acid IUPAC Name: 2-(5-chloro-6-nitro-2-oxo-1,3-benzothiazol-3-yl)acetic acid Traditional Name: 2-(5-chloro-2-keto-6-nitro-1,3-benzothiazol-3-yl)acetic acid Formula: C9H5ClN2O5S MolecularWeight: 288.6644

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1Cl)[N+](=O)[O-])SC(=O)N2CC(=O)O

Isomeric SMILES

C1=C2C(=CC(=C1Cl)[N+](=O)[O-])SC(=O)N2CC(=O)O

InChI

InChI=1S/C9H5ClN2O5S/c10-4-1-6-7(2-5(4)12(16)17)18-9(15)11(6)3-8(13)14/h1-2H,3H2,(H,13,14)