ethyl 3-(2-nitropropan-2-yl)-9-oxidanylidene-thioxanthene-1-carboxylate

Systemtic Name: ethyl 3-(2-nitropropan-2-yl)-9-oxidanylidene-thioxanthene-1-carboxylate Openeye Name: ethyl 3-(1-methyl-1-nitro-ethyl)-9-oxo-thioxanthene-1-carboxylate CAS Name: 3-(2-nitropropan-2-yl)-9-oxo-1-thioxanthenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-nitropropan-2-yl)-9-oxothioxanthene-1-carboxylate Traditional Name: 9-keto-3-(1-methyl-1-nitro-ethyl)thioxanthene-1-carboxylic acid ethyl ester Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO5S/c1-4-25-18(22)13-9-11(19(2,3)20(23)24)10-15-16(13)17(21)12-7-5-6-8-14(12)26-15/h5-10H,4H2,1-3H3