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

Systemtic Name: 2-[(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfanyl]propanoic acid Openeye Name: 2-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)sulfanyl]propanoic acid CAS Name: 2-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)thio]propanoic acid IUPAC Name: 2-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)sulfanyl]propanoic acid Traditional Name: 2-[(3-keto-7-nitro-4H-1,4-benzoxazin-6-yl)thio]propionic acid Formula: C11H10N2O6S MolecularWeight: 298.2719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O6S/c1-5(11(15)16)20-9-2-6-8(3-7(9)13(17)18)19-4-10(14)12-6/h2-3,5H,4H2,1H3,(H,12,14)(H,15,16)