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

Systemtic Name: dimethyl 5-azanyl-3-[(2-chloranyl-5-nitro-phenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(2-chloro-5-nitro-benzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(2-chloro-5-nitrophenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(2-chloro-5-nitrobenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(2-chloro-5-nitro-benzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H13ClN2O8S MolecularWeight: 428.80102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O8S/c1-25-15(21)11-9(12(16(22)26-2)28-13(11)18)6-27-14(20)8-5-7(19(23)24)3-4-10(8)17/h3-5H,6,18H2,1-2H3