1-[1,3-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-ium-1-yl]but-3-enyl 2-phenylethanoate

Systemtic Name: 1-[1,3-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-ium-1-yl]but-3-enyl 2-phenylethanoate Openeye Name: 1-(1,3-dimethyl-2,5-dioxo-pyrrol-1-ium-1-yl)but-3-enyl 2-phenylacetate CAS Name: 2-phenylacetic acid 1-(1,3-dimethyl-2,5-dioxo-1-pyrrol-1-iumyl)but-3-enyl ester IUPAC Name: 1-(1,3-dimethyl-2,5-dioxopyrrol-1-ium-1-yl)but-3-enyl 2-phenylacetate Traditional Name: 2-phenylacetic acid 1-(2,5-diketo-1,3-dimethyl-3-pyrrolin-1-ium-1-yl)but-3-enyl ester Formula: C18H20NO4+ MolecularWeight: 314.3557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+](C1=O)(C)C(CC=C)OC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=O)[N+](C1=O)(C)C(CC=C)OC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H20NO4/c1-4-8-16(19(3)15(20)11-13(2)18(19)22)23-17(21)12-14-9-6-5-7-10-14/h4-7,9-11,16H,1,8,12H2,2-3H3/q+1