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

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-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)COC3=C(C=C(C=C3)C)Br

Isomeric SMILES

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

InChI

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