(E)-[2-(2,3-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(4-ethoxyphenyl)methanolate

Systemtic Name: (E)-[2-(2,3-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(4-ethoxyphenyl)methanolate Openeye Name: (E)-[2-(2,3-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(4-ethoxyphenyl)methanolate CAS Name: (E)-[2-(2,3-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-(4-ethoxyphenyl)methanolate IUPAC Name: (E)-[2-(2,3-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene]-(4-ethoxyphenyl)methanolate Traditional Name: (E)-[2-(2,3-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-diketo-pyrrolidin-3-ylidene]-p-phenetyl-methanolate Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=C(C(=CC=C4)OC)OC)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=C(C(=CC=C4)OC)OC)/[O-]

InChI

InChI=1S/C27H29N3O6/c1-4-36-19-11-9-18(10-12-19)24(31)22-23(20-7-5-8-21(34-2)26(20)35-3)30(27(33)25(22)32)15-6-14-29-16-13-28-17-29/h5,7-13,16-17,23H,4,6,14-15H2,1-3H3,(H,31,32)