(E)-(3-methoxyphenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-(3-methoxyphenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(3-methoxyphenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-nitrophenyl)-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(3-methoxyphenyl)-[1-[3-(4-morpholin-4-iumyl)propyl]-2-(3-nitrophenyl)-4,5-dioxo-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(3-methoxyphenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate Traditional Name: (E)-[4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-nitrophenyl)pyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate Formula: C25H27N3O7 MolecularWeight: 481.49778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC(=CC=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC(=CC=C4)[N+](=O)[O-])/[O-]

InChI

InChI=1S/C25H27N3O7/c1-34-20-8-3-6-18(16-20)23(29)21-22(17-5-2-7-19(15-17)28(32)33)27(25(31)24(21)30)10-4-9-26-11-13-35-14-12-26/h2-3,5-8,15-16,22,29H,4,9-14H2,1H3/b23-21+