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

Systemtic Name: dipropan-2-yl 5-[(2,4-dinitrophenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diisopropyl 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 dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(2,4-dinitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2,4-dinitrobenzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diisopropyl ester Formula: C20H21N3O9S MolecularWeight: 479.46044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C20H21N3O9S/c1-9(2)31-19(25)15-11(5)16(20(26)32-10(3)4)33-18(15)21-17(24)13-7-6-12(22(27)28)8-14(13)23(29)30/h6-10H,1-5H3,(H,21,24)