methyl 4-[(3E)-3-[(4-methylphenyl)-oxidanyl-methylidene]-4,5-bis(oxidanylidene)-1-pyridin-3-yl-pyrrolidin-2-yl]benzoate

Systemtic Name: methyl 4-[(3E)-3-[(4-methylphenyl)-oxidanyl-methylidene]-4,5-bis(oxidanylidene)-1-pyridin-3-yl-pyrrolidin-2-yl]benzoate Openeye Name: methyl 4-[(3E)-3-[hydroxy(p-tolyl)methylene]-4,5-dioxo-1-(3-pyridyl)pyrrolidin-2-yl]benzoate CAS Name: 4-[(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxo-1-(3-pyridinyl)-2-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxo-1-pyridin-3-ylpyrrolidin-2-yl]benzoate Traditional Name: 4-[(3E)-3-[hydroxy(p-tolyl)methylene]-4,5-diketo-1-(3-pyridyl)pyrrolidin-2-yl]benzoic acid methyl ester Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CN=CC=C3)C4=CC=C(C=C4)C(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CN=CC=C3)C4=CC=C(C=C4)C(=O)OC)/O

InChI

InChI=1S/C25H20N2O5/c1-15-5-7-17(8-6-15)22(28)20-21(16-9-11-18(12-10-16)25(31)32-2)27(24(30)23(20)29)19-4-3-13-26-14-19/h3-14,21,28H,1-2H3/b22-20+