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

Systemtic Name: diethyl 5-[2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[(4-chloro-3-nitro-benzoyl)amino]acetyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-1-oxoethoxy]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[(4-chloro-3-nitrobenzoyl)amino]acetyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[2-[(4-chloro-3-nitro-benzoyl)amino]acetyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C21H22ClN3O9 MolecularWeight: 495.86708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O9/c1-4-32-20(28)17-11(3)18(21(29)33-5-2)24-14(17)10-34-16(26)9-23-19(27)12-6-7-13(22)15(8-12)25(30)31/h6-8,24H,4-5,9-10H2,1-3H3,(H,23,27)