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

Systemtic Name: ethyl 5-[(2S)-2-(4-methoxycarbonyl-2-nitro-phenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(4-methoxycarbonyl-2-nitro-phenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(4-methoxycarbonyl-2-nitrophenoxy)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(4-methoxycarbonyl-2-nitrophenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(4-carbomethoxy-2-nitro-phenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H22N2O8 MolecularWeight: 418.39728

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O8/c1-6-29-20(25)16-10(2)17(21-11(16)3)18(23)12(4)30-15-8-7-13(19(24)28-5)9-14(15)22(26)27/h7-9,12,21H,6H2,1-5H3/t12-/m0/s1