ethyl 2-[2-(4-bromanylphenoxy)ethanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromanylphenoxy)ethanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H17BrN2O6S MolecularWeight: 505.33848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H17BrN2O6S/c1-2-29-21(26)19-17(13-4-3-5-15(10-13)24(27)28)12-31-20(19)23-18(25)11-30-16-8-6-14(22)7-9-16/h3-10,12H,2,11H2,1H3,(H,23,25)