[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-methylthiophene-2-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-methylthiophene-2-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 5-methylthiophene-2-carboxylate CAS Name: 5-methyl-2-thiophenecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate Traditional Name: 5-methylthiophene-2-carboxylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(S2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(S2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO5S/c1-9-3-5-11(7-12(9)16(19)20)13(17)8-21-15(18)14-6-4-10(2)22-14/h3-7H,8H2,1-2H3