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

Systemtic Name: dimethyl 5-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(5-chloro-2-nitro-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(5-chloro-2-nitrophenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-chloro-2-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(5-chloro-2-nitro-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H13ClN2O7S MolecularWeight: 412.80162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O7S/c1-7-11(15(21)25-2)14(27-12(7)16(22)26-3)18-13(20)9-6-8(17)4-5-10(9)19(23)24/h4-6H,1-3H3,(H,18,20)