diethyl 3-[1-(4-chloranyl-2-nitro-phenyl)pyrrol-3-yl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-[1-(4-chloranyl-2-nitro-phenyl)pyrrol-3-yl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-[1-(4-chloro-2-nitro-phenyl)pyrrol-3-yl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-[1-(4-chloro-2-nitrophenyl)-3-pyrrolyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-[1-(4-chloro-2-nitrophenyl)pyrrol-3-yl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-[1-(4-chloro-2-nitro-phenyl)pyrrol-3-yl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C20H18ClN3O6 MolecularWeight: 431.82642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=C1C2=CN(C=C2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CNC(=C1C2=CN(C=C2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H18ClN3O6/c1-3-29-19(25)14-10-22-18(20(26)30-4-2)17(14)12-7-8-23(11-12)15-6-5-13(21)9-16(15)24(27)28/h5-11,22H,3-4H2,1-2H3