ethyl 2-[(4-bromophenyl)carbonylamino]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-bromophenyl)carbonylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromobenzoyl)amino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromobenzoyl)amino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[(4-bromobenzoyl)amino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C14H11BrN2O5S MolecularWeight: 399.21654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H11BrN2O5S/c1-2-22-14(19)10-7-11(17(20)21)23-13(10)16-12(18)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H,16,18)