methyl 4-(4-chlorophenyl)-3-(4-oxidanidylmorpholin-4-ium-4-yl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-3-(4-oxidanidylmorpholin-4-ium-4-yl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-3-(4-oxidomorpholin-4-ium-4-yl)-1H-pyrrole-2-carboxylate CAS Name: 4-(4-chlorophenyl)-3-(4-oxido-4-morpholin-4-iumyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-3-(4-oxidomorpholin-4-ium-4-yl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-chlorophenyl)-3-(4-oxidomorpholin-4-ium-4-yl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)C2=CC=C(C=C2)Cl)[N+]3(CCOCC3)[O-]

Isomeric SMILES

COC(=O)C1=C(C(=CN1)C2=CC=C(C=C2)Cl)[N+]3(CCOCC3)[O-]

InChI

InChI=1S/C16H17ClN2O4/c1-22-16(20)14-15(19(21)6-8-23-9-7-19)13(10-18-14)11-2-4-12(17)5-3-11/h2-5,10,18H,6-9H2,1H3