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

Systemtic Name: dimethyl 5-azanyl-3-[(4-bromanyl-3-nitro-phenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-bromo-3-nitro-benzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-bromo-3-nitrophenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-bromo-3-nitrobenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4-bromo-3-nitro-benzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H13BrN2O8S MolecularWeight: 473.25202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C(=O)OC)N

InChI

InChI=1S/C16H13BrN2O8S/c1-25-15(21)11-8(12(16(22)26-2)28-13(11)18)6-27-14(20)7-3-4-9(17)10(5-7)19(23)24/h3-5H,6,18H2,1-2H3