ethyl 2-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H16BrClN2O6S MolecularWeight: 539.78354

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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=C(C=C(C=C3)Cl)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrClN2O6S/c1-2-30-21(27)19-15(12-4-3-5-14(8-12)25(28)29)11-32-20(19)24-18(26)10-31-17-7-6-13(23)9-16(17)22/h3-9,11H,2,10H2,1H3,(H,24,26)