3-[(5-nitro-2-oxidanylidene-1,3-dihydroindol-6-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(5-nitro-2-oxidanylidene-1,3-dihydroindol-6-yl)sulfanyl]propanoic acid Openeye Name: 3-(5-nitro-2-oxo-indolin-6-yl)sulfanylpropanoic acid CAS Name: 3-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)thio]propanoic acid IUPAC Name: 3-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]propanoic acid Traditional Name: 3-[(2-keto-5-nitro-indolin-6-yl)thio]propionic acid Formula: C11H10N2O5S MolecularWeight: 282.2725

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2NC1=O)SCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=C(C=C2NC1=O)SCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O5S/c14-10-4-6-3-8(13(17)18)9(5-7(6)12-10)19-2-1-11(15)16/h3,5H,1-2,4H2,(H,12,14)(H,15,16)