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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-(4-nitrophenoxy)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6/c1-9-14(17(21)24-4)10(2)18-15(9)16(20)11(3)25-13-7-5-12(6-8-13)19(22)23/h5-8,11,18H,1-4H3/t11-/m0/s1