(E)-[2-(furan-2-yl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate

Systemtic Name: (E)-[2-(furan-2-yl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate Openeye Name: (E)-(4-allyloxyphenyl)-[2-(2-furyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate CAS Name: (E)-[2-(2-furanyl)-4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]-(4-prop-2-enoxyphenyl)methanolate IUPAC Name: (E)-[2-(furan-2-yl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate Traditional Name: (E)-(4-allyloxyphenyl)-[2-(2-furyl)-4,5-diketo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate Formula: C24H20N2O5 MolecularWeight: 416.426

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=CO4)[O-]

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=CO4)/[O-]

InChI

InChI=1S/C24H20N2O5/c1-2-12-30-18-9-7-17(8-10-18)22(27)20-21(19-6-4-13-31-19)26(24(29)23(20)28)15-16-5-3-11-25-14-16/h2-11,13-14,21,27H,1,12,15H2/b22-20+