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

Systemtic Name: methyl 3-nitro-9-oxidanylidene-thioxanthene-1-carboxylate Openeye Name: methyl 3-nitro-9-oxo-thioxanthene-1-carboxylate CAS Name: 3-nitro-9-oxo-1-thioxanthenecarboxylic acid methyl ester IUPAC Name: methyl 3-nitro-9-oxothioxanthene-1-carboxylate Traditional Name: 9-keto-3-nitro-thioxanthene-1-carboxylic acid methyl ester Formula: C15H9NO5S MolecularWeight: 315.30066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9NO5S/c1-21-15(18)10-6-8(16(19)20)7-12-13(10)14(17)9-4-2-3-5-11(9)22-12/h2-7H,1H3