ethyl (2E,4E)-5-(5,5-dimethyl-1-oxidanidyl-3,4-dihydropyrrol-1-ium-2-yl)-3-methyl-penta-2,4-dienoate

Systemtic Name: ethyl (2E,4E)-5-(5,5-dimethyl-1-oxidanidyl-3,4-dihydropyrrol-1-ium-2-yl)-3-methyl-penta-2,4-dienoate Openeye Name: ethyl (2E,4E)-5-(5,5-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium-2-yl)-3-methyl-penta-2,4-dienoate CAS Name: (2E,4E)-5-(5,5-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium-2-yl)-3-methylpenta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4E)-5-(5,5-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium-2-yl)-3-methylpenta-2,4-dienoate Traditional Name: (2E,4E)-5-(5,5-dimethyl-1-oxido-1-pyrrolin-1-ium-2-yl)-3-methyl-penta-2,4-dienoic acid ethyl ester Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)C=CC1=[N+](C(CC1)(C)C)[O-]

Isomeric SMILES

CCOC(=O)/C=C(\C)/C=C/C1=[N+](C(CC1)(C)C)[O-]

InChI

InChI=1S/C14H21NO3/c1-5-18-13(16)10-11(2)6-7-12-8-9-14(3,4)15(12)17/h6-7,10H,5,8-9H2,1-4H3/b7-6+,11-10+