2-[(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)sulfanyl]acetic acid CAS Name: 2-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)thio]acetic acid IUPAC Name: 2-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)sulfanyl]acetic acid Traditional Name: 2-[(3-keto-7-nitro-4H-1,4-benzoxazin-6-yl)thio]acetic acid Formula: C10H8N2O6S MolecularWeight: 284.24532

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC(=C(C=C2O1)[N+](=O)[O-])SCC(=O)O

Isomeric SMILES

C1C(=O)NC2=CC(=C(C=C2O1)[N+](=O)[O-])SCC(=O)O

InChI

InChI=1S/C10H8N2O6S/c13-9-3-18-7-2-6(12(16)17)8(1-5(7)11-9)19-4-10(14)15/h1-2H,3-4H2,(H,11,13)(H,14,15)