dimethyl 5-[2-(4-chloranyl-3-nitro-phenyl)carbonyloxyethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-chloranyl-3-nitro-phenyl)carbonyloxyethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-chloro-3-nitro-benzoyl)oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(4-chloro-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-chloro-3-nitrobenzoyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-chloro-3-nitro-benzoyl)oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H15ClN2O9S MolecularWeight: 470.8377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O9S/c1-8-13(17(24)28-2)15(31-14(8)18(25)29-3)20-12(22)7-30-16(23)9-4-5-10(19)11(6-9)21(26)27/h4-6H,7H2,1-3H3,(H,20,22)