[(2R)-1-[3-(diethylazaniumyl)propyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate

Systemtic Name: [(2R)-1-[3-(diethylazaniumyl)propyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate Openeye Name: [(2R)-1-[3-(diethylammonio)propyl]-2-(4-nitrophenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate CAS Name: [(2R)-1-[3-(diethylammonio)propyl]-2-(4-nitrophenyl)-4,5-dioxo-3-pyrrolidinylidene]-(3-methoxyphenyl)methanolate IUPAC Name: [(2R)-1-[3-(diethylazaniumyl)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate Traditional Name: [(2R)-1-[3-(diethylammonio)propyl]-4,5-diketo-2-(4-nitrophenyl)pyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C2=CC(=CC=C2)OC)[O-])C(=O)C1=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCN1[C@@H](C(=C(C2=CC(=CC=C2)OC)[O-])C(=O)C1=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O6/c1-4-26(5-2)14-7-15-27-22(17-10-12-19(13-11-17)28(32)33)21(24(30)25(27)31)23(29)18-8-6-9-20(16-18)34-3/h6,8-13,16,22,29H,4-5,7,14-15H2,1-3H3/t22-/m1/s1