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

Systemtic Name: (3-methylphenyl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: m-tolylmethyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (3-methylbenzyl) ester Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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