(3,4-dimethylphenyl) 5-nitrothiophene-2-carboxylate

Systemtic Name: (3,4-dimethylphenyl) 5-nitrothiophene-2-carboxylate Openeye Name: (3,4-dimethylphenyl) 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (3,4-dimethylphenyl) ester Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO4S/c1-8-3-4-10(7-9(8)2)18-13(15)11-5-6-12(19-11)14(16)17/h3-7H,1-2H3