dimethyl 5-azanyl-3-[(3-methoxycarbonyl-5-nitro-phenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(3-methoxycarbonyl-5-nitro-phenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(3-methoxycarbonyl-5-nitro-benzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(3-methoxycarbonyl-5-nitrophenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(3-methoxycarbonyl-5-nitrobenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(3-carbomethoxy-5-nitro-benzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H16N2O10S MolecularWeight: 452.39204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C18H16N2O10S/c1-27-15(21)8-4-9(6-10(5-8)20(25)26)16(22)30-7-11-12(17(23)28-2)14(19)31-13(11)18(24)29-3/h4-6H,7,19H2,1-3H3