ethyl 1-oxidanidyl-5-phenyl-2-prop-2-enyl-3,4-dihydropyrrol-1-ium-2-carboxylate

Systemtic Name: ethyl 1-oxidanidyl-5-phenyl-2-prop-2-enyl-3,4-dihydropyrrol-1-ium-2-carboxylate Openeye Name: ethyl 2-allyl-1-oxido-5-phenyl-3,4-dihydropyrrol-1-ium-2-carboxylate CAS Name: 1-oxido-5-phenyl-2-prop-2-enyl-3,4-dihydropyrrol-1-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-oxido-5-phenyl-2-prop-2-enyl-3,4-dihydropyrrol-1-ium-2-carboxylate Traditional Name: 2-allyl-1-oxido-5-phenyl-1-pyrrolin-1-ium-2-carboxylic acid ethyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(=[N+]1[O-])C2=CC=CC=C2)CC=C

Isomeric SMILES

CCOC(=O)C1(CCC(=[N+]1[O-])C2=CC=CC=C2)CC=C

InChI

InChI=1S/C16H19NO3/c1-3-11-16(15(18)20-4-2)12-10-14(17(16)19)13-8-6-5-7-9-13/h3,5-9H,1,4,10-12H2,2H3