2-[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-[4-[2-(diethylammonio)ethoxycarbonyl]phenyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-[2-(diethylammonio)ethoxy-oxomethyl]phenyl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[4-[2-(diethylammonio)ethoxycarbonyl]phenyl]-1,3-diketo-isoindoline-5-carboxylate Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C22H22N2O6/c1-3-23(4-2)11-12-30-22(29)14-5-8-16(9-6-14)24-19(25)17-10-7-15(21(27)28)13-18(17)20(24)26/h5-10,13H,3-4,11-12H2,1-2H3,(H,27,28)