(4-nitrophenyl)methyl 2,5-dimethylthiophene-3-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2,5-dimethylthiophene-3-carboxylate Openeye Name: (4-nitrophenyl)methyl 2,5-dimethylthiophene-3-carboxylate CAS Name: 2,5-dimethyl-3-thiophenecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2,5-dimethylthiophene-3-carboxylate Traditional Name: 2,5-dimethylthiophene-3-carboxylic acid (4-nitrobenzyl) ester Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO4S/c1-9-7-13(10(2)20-9)14(16)19-8-11-3-5-12(6-4-11)15(17)18/h3-7H,8H2,1-2H3