O2-[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester O4-methyl ester IUPAC Name: 2-O-[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 4-O-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester O4-methyl ester Formula: C19H20ClN3O7 MolecularWeight: 437.831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C)C(=O)OC

InChI

InChI=1S/C19H20ClN3O7/c1-5-13-15(18(25)29-4)9(2)16(21-13)19(26)30-10(3)17(24)22-14-7-6-11(23(27)28)8-12(14)20/h6-8,10,21H,5H2,1-4H3,(H,22,24)