2-[(E)-2-(ethanethioylamino)ethenyl]-3,5-dinitro-benzoic acid

Systemtic Name: 2-[(E)-2-(ethanethioylamino)ethenyl]-3,5-dinitro-benzoic acid Openeye Name: 2-[(E)-2-(ethanethioylamino)vinyl]-3,5-dinitro-benzoic acid CAS Name: 3,5-dinitro-2-[(E)-2-(1-sulfanylideneethylamino)ethenyl]benzoic acid IUPAC Name: 2-[(E)-2-(ethanethioylamino)ethenyl]-3,5-dinitrobenzoic acid Traditional Name: 3,5-dinitro-2-[(E)-2-(thioacetylamino)vinyl]benzoic acid Formula: C11H9N3O6S MolecularWeight: 311.27066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC=CC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=S)N/C=C/C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O6S/c1-6(21)12-3-2-8-9(11(15)16)4-7(13(17)18)5-10(8)14(19)20/h2-5H,1H3,(H,12,21)(H,15,16)/b3-2+