ethyl 5-[(2S)-2-(2-chloranyl-4-nitro-phenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-2-(2-chloranyl-4-nitro-phenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(2-chloro-4-nitro-phenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(2-chloro-4-nitrophenoxy)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(2-chloro-4-nitrophenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(2-chloro-4-nitro-phenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H19ClN2O6 MolecularWeight: 394.80626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C18H19ClN2O6/c1-5-26-18(23)15-9(2)16(20-10(15)3)17(22)11(4)27-14-7-6-12(21(24)25)8-13(14)19/h6-8,11,20H,5H2,1-4H3/t11-/m0/s1