diethyl 5-[[2-(4-chloranyl-3-nitro-phenyl)carbonylphenyl]carbonyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[2-(4-chloranyl-3-nitro-phenyl)carbonylphenyl]carbonyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(4-chloro-3-nitro-benzoyl)benzoyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[[2-[(4-chloro-3-nitrophenyl)-oxomethyl]phenyl]-oxomethoxy]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(4-chloro-3-nitrobenzoyl)benzoyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[2-(4-chloro-3-nitro-benzoyl)benzoyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C26H23ClN2O9 MolecularWeight: 542.92182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H23ClN2O9/c1-4-36-25(32)21-14(3)22(26(33)37-5-2)28-19(21)13-38-24(31)17-9-7-6-8-16(17)23(30)15-10-11-18(27)20(12-15)29(34)35/h6-12,28H,4-5,13H2,1-3H3