(E)-(3-chloranyl-4-ethoxy-phenyl)-[2-(3,4-dimethoxyphenyl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-(3-chloranyl-4-ethoxy-phenyl)-[2-(3,4-dimethoxyphenyl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(3-chloro-4-ethoxy-phenyl)-[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(3-chloro-4-ethoxyphenyl)-[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(3-chloro-4-ethoxyphenyl)-[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate Traditional Name: (E)-(3-chloro-4-ethoxy-phenyl)-[2-(3,4-dimethoxyphenyl)-4,5-diketo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate Formula: C27H25ClN2O6 MolecularWeight: 508.9502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN2O6/c1-4-36-20-9-8-18(12-19(20)28)25(31)23-24(17-7-10-21(34-2)22(13-17)35-3)30(27(33)26(23)32)15-16-6-5-11-29-14-16/h5-14,24,31H,4,15H2,1-3H3/b25-23+