(4-methylphenyl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (4-methylphenyl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: p-tolylmethyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (4-methylbenzyl) ester Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO4S/c1-9-2-4-10(5-3-9)8-18-13(15)11-6-7-12(19-11)14(16)17/h2-7H,8H2,1H3