ethyl 3-nitro-9-oxidanylidene-thioxanthene-1-carboxylate

Systemtic Name: ethyl 3-nitro-9-oxidanylidene-thioxanthene-1-carboxylate Openeye Name: ethyl 3-nitro-9-oxo-thioxanthene-1-carboxylate CAS Name: 3-nitro-9-oxo-1-thioxanthenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-nitro-9-oxothioxanthene-1-carboxylate Traditional Name: 9-keto-3-nitro-thioxanthene-1-carboxylic acid ethyl ester Formula: C16H11NO5S MolecularWeight: 329.32724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO5S/c1-2-22-16(19)11-7-9(17(20)21)8-13-14(11)15(18)10-5-3-4-6-12(10)23-13/h3-8H,2H2,1H3