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

Systemtic Name: dipropan-2-yl 5-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diisopropyl 5-[(2-chloro-5-nitro-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(2-chloro-5-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-chloro-5-nitro-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diisopropyl ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O7S/c1-9(2)29-19(25)15-11(5)16(20(26)30-10(3)4)31-18(15)22-17(24)13-8-12(23(27)28)6-7-14(13)21/h6-10H,1-5H3,(H,22,24)