methyl 2-[2-(2-chloranyl-4-nitro-phenoxy)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-chloranyl-4-nitro-phenoxy)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-chloro-4-nitrophenoxy)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H15ClN2O6S MolecularWeight: 398.8181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C16H15ClN2O6S/c1-8-9(2)26-15(14(8)16(21)24-3)18-13(20)7-25-12-5-4-10(19(22)23)6-11(12)17/h4-6H,7H2,1-3H3,(H,18,20)