1,3-bis(oxidanylidene)-2-(4-pentoxycarbonylphenyl)isoindole-5-carboxylate

Systemtic Name: 1,3-bis(oxidanylidene)-2-(4-pentoxycarbonylphenyl)isoindole-5-carboxylate Openeye Name: 1,3-dioxo-2-(4-pentoxycarbonylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-[oxo(pentoxy)methyl]phenyl]-5-isoindolecarboxylate IUPAC Name: 1,3-dioxo-2-(4-pentoxycarbonylphenyl)isoindole-5-carboxylate Traditional Name: 2-(4-amoxycarbonylphenyl)-1,3-diketo-isoindoline-5-carboxylate Formula: C21H18NO6- MolecularWeight: 380.37072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H19NO6/c1-2-3-4-11-28-21(27)13-5-8-15(9-6-13)22-18(23)16-10-7-14(20(25)26)12-17(16)19(22)24/h5-10,12H,2-4,11H2,1H3,(H,25,26)/p-1