diethyl 5-[(2,4-dinitrophenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(2,4-dinitrophenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(2,4-dinitrobenzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2,4-dinitrophenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2,4-dinitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2,4-dinitrobenzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H17N3O9S MolecularWeight: 451.40728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O9S/c1-4-29-17(23)13-9(3)14(18(24)30-5-2)31-16(13)19-15(22)11-7-6-10(20(25)26)8-12(11)21(27)28/h6-8H,4-5H2,1-3H3,(H,19,22)