(4-bromanyl-2-chloranyl-6-methyl-phenyl) 5-nitrothiophene-2-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 5-nitrothiophene-2-carboxylate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C12H7BrClNO4S MolecularWeight: 376.61028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC=C(S2)[N+](=O)[O-])Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC=C(S2)[N+](=O)[O-])Cl)Br

InChI

InChI=1S/C12H7BrClNO4S/c1-6-4-7(13)5-8(14)11(6)19-12(16)9-2-3-10(20-9)15(17)18/h2-5H,1H3