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

Systemtic Name: dimethyl 5-azanyl-3-[(4-tert-butyl-3-nitro-phenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-tert-butyl-3-nitro-benzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-tert-butyl-3-nitrophenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-tert-butyl-3-nitrobenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4-tert-butyl-3-nitro-benzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O8S/c1-20(2,3)12-7-6-10(8-13(12)22(26)27)17(23)30-9-11-14(18(24)28-4)16(21)31-15(11)19(25)29-5/h6-8H,9,21H2,1-5H3