methyl 2-[(4-bromanyl-3-nitro-phenyl)carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-bromanyl-3-nitro-phenyl)carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-bromo-3-nitro-benzoyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-3-nitrophenyl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-3-nitrobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-3-nitro-benzoyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C15H13BrN2O5S MolecularWeight: 413.24312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C

InChI

InChI=1S/C15H13BrN2O5S/c1-7-8(2)24-14(12(7)15(20)23-3)17-13(19)9-4-5-10(16)11(6-9)18(21)22/h4-6H,1-3H3,(H,17,19)