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

Systemtic Name: ethyl 2-[2-(3-bromanylphenoxy)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-bromophenoxy)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(3-bromophenoxy)-1-oxopropyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-bromophenoxy)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[2-(3-bromophenoxy)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H19BrN2O6S MolecularWeight: 519.36506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C(C)OC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C(C)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H19BrN2O6S/c1-3-30-22(27)19-18(14-6-4-8-16(10-14)25(28)29)12-32-21(19)24-20(26)13(2)31-17-9-5-7-15(23)11-17/h4-13H,3H2,1-2H3,(H,24,26)