O2-tert-butyl O4-ethyl 5-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-[(4-chloro-3,5-dinitro-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-chloro-3,5-dinitrophenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-[(4-chloro-3,5-dinitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-chloro-3,5-dinitro-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C20H20ClN3O9S MolecularWeight: 513.9055

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O9S/c1-6-32-18(26)13-9(2)15(19(27)33-20(3,4)5)34-17(13)22-16(25)10-7-11(23(28)29)14(21)12(8-10)24(30)31/h7-8H,6H2,1-5H3,(H,22,25)