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

Systemtic Name: (3-chlorophenyl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (3-chlorophenyl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (3-chlorobenzyl) ester Formula: C12H8ClNO4S MolecularWeight: 297.71422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClNO4S/c13-9-3-1-2-8(6-9)7-18-12(15)10-4-5-11(19-10)14(16)17/h1-6H,7H2