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

Systemtic Name: dimethyl 5-azanyl-3-[(4-methoxy-3-nitro-phenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-methoxy-3-nitro-benzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-methoxy-3-nitrophenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-methoxy-3-nitrobenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4-methoxy-3-nitro-benzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H16N2O9S MolecularWeight: 424.38194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O9S/c1-25-11-5-4-8(6-10(11)19(23)24)15(20)28-7-9-12(16(21)26-2)14(18)29-13(9)17(22)27-3/h4-6H,7,18H2,1-3H3