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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-(4-nitrophenoxy)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-(4-nitrophenoxy)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-(4-nitrophenoxy)-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-(4-nitrophenoxy)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(4-nitrophenoxy)propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6/c1-5-25-18(22)15-10(2)16(19-11(15)3)17(21)12(4)26-14-8-6-13(7-9-14)20(23)24/h6-9,12,19H,5H2,1-4H3/t12-/m0/s1