O1-methyl O3-(4-oxidanylidene-4-thiophen-2-yl-butyl) 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-(4-oxidanylidene-4-thiophen-2-yl-butyl) 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[4-oxo-4-(2-thienyl)butyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-(4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: 1-O-methyl 3-O-(4-oxo-4-thiophen-2-ylbutyl) 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[4-keto-4-(2-thienyl)butyl] ester O1-methyl ester Formula: C17H15NO7S MolecularWeight: 377.3685

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCCC(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCCC(=O)C2=CC=CS2

InChI

InChI=1S/C17H15NO7S/c1-24-16(20)11-8-12(10-13(9-11)18(22)23)17(21)25-6-2-4-14(19)15-5-3-7-26-15/h3,5,7-10H,2,4,6H2,1H3