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

Systemtic Name: methyl 5-[(2S)-2-(4-chloranyl-2-nitro-phenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-(4-chloro-2-nitro-phenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(4-chloro-2-nitrophenoxy)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-(4-chloro-2-nitrophenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(4-chloro-2-nitro-phenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H17ClN2O6 MolecularWeight: 380.77968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O6/c1-8-14(17(22)25-4)9(2)19-15(8)16(21)10(3)26-13-6-5-11(18)7-12(13)20(23)24/h5-7,10,19H,1-4H3/t10-/m0/s1