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

Systemtic Name: [(2R)-2-(3-bromophenyl)-1-[3-(diethylazaniumyl)propyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate Openeye Name: [(2R)-2-(3-bromophenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate CAS Name: [(2R)-2-(3-bromophenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxo-3-pyrrolidinylidene]-(3-methoxyphenyl)methanolate IUPAC Name: [(2R)-2-(3-bromophenyl)-1-[3-(diethylazaniumyl)propyl]-4,5-dioxopyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate Traditional Name: [(2R)-2-(3-bromophenyl)-1-[3-(diethylammonio)propyl]-4,5-diketo-pyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate Formula: C25H29BrN2O4 MolecularWeight: 501.41276

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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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H29BrN2O4/c1-4-27(5-2)13-8-14-28-22(17-9-6-11-19(26)15-17)21(24(30)25(28)31)23(29)18-10-7-12-20(16-18)32-3/h6-7,9-12,15-16,22,29H,4-5,8,13-14H2,1-3H3/t22-/m1/s1