O1-methyl O3-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-(5-methyl-2-thienyl)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(5-methyl-2-thienyl)ethyl] ester O1-methyl ester Formula: C16H13NO7S MolecularWeight: 363.34192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO7S/c1-9-3-4-14(25-9)13(18)8-24-16(20)11-5-10(15(19)23-2)6-12(7-11)17(21)22/h3-7H,8H2,1-2H3