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

Systemtic Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(4-methoxycarbonylphenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(4-methoxycarbonylphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(4-methoxycarbonylphenyl)-4,5-dioxo-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(4-methoxycarbonylphenyl)-4,5-dioxopyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [2-(4-carbomethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-diketo-pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C24H22N4O5 MolecularWeight: 446.45528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2CCC[N+]4=CNC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2CCC[N+]4=CNC=C4

InChI

InChI=1S/C24H22N4O5/c1-33-24(32)18-5-3-16(4-6-18)20-19(21(29)17-7-9-25-10-8-17)22(30)23(31)28(20)13-2-12-27-14-11-26-15-27/h3-11,14-15,20H,2,12-13H2,1H3,(H,29,30)