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

Systemtic Name: O2-[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(2-methoxy-5-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-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester O4-methyl ester IUPAC Name: 2-O-[1-(2-methoxy-5-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-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester O4-methyl ester Formula: C20H23N3O8 MolecularWeight: 433.41192

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=CC(=C2)[N+](=O)[O-])OC)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O8/c1-6-13-16(19(25)30-5)10(2)17(21-13)20(26)31-11(3)18(24)22-14-9-12(23(27)28)7-8-15(14)29-4/h7-9,11,21H,6H2,1-5H3,(H,22,24)