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

Systemtic Name: O2-tert-butyl O4-ethyl 5-[(3,5-dinitrophenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-[(3,5-dinitrobenzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(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-[(3,5-dinitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3,5-dinitrobenzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C20H21N3O9S MolecularWeight: 479.46044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O9S/c1-6-31-18(25)14-10(2)15(19(26)32-20(3,4)5)33-17(14)21-16(24)11-7-12(22(27)28)9-13(8-11)23(29)30/h7-9H,6H2,1-5H3,(H,21,24)