ethyl 4-(4-chlorophenyl)-2,5,5-trimethyl-1-oxidanidyl-pyrrol-1-ium-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2,5,5-trimethyl-1-oxidanidyl-pyrrol-1-ium-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2,5,5-trimethyl-1-oxido-pyrrol-1-ium-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2,5,5-trimethyl-1-oxido-3-pyrrol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2,5,5-trimethyl-1-oxidopyrrol-1-ium-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2,5,5-trimethyl-1-oxido-pyrrol-1-ium-3-carboxylic acid ethyl ester Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO3/c1-5-21-15(19)13-10(2)18(20)16(3,4)14(13)11-6-8-12(17)9-7-11/h6-9H,5H2,1-4H3