[4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate

Systemtic Name: [4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate Openeye Name: [4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate CAS Name: [4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate IUPAC Name: [4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate Traditional Name: (5-carbomethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-[4,5-diketo-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]methanolate Formula: C28H29N3O8 MolecularWeight: 535.54516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)[O-])C)C(=O)OC

InChI

InChI=1S/C28H29N3O8/c1-14-20(15(2)30-22(14)28(35)39-6)24(32)21-23(17-10-18(36-3)26(38-5)19(11-17)37-4)31(27(34)25(21)33)13-16-8-7-9-29-12-16/h7-12,23,30,32H,13H2,1-6H3