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

Systemtic Name: 2-(3-butoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(3-butoxycarbonylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[3-[butoxy(oxo)methyl]phenyl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-(3-butoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3-butoxycarbonylphenyl)-1,3-diketo-isoindoline-5-carboxylate Formula: C20H16NO6- MolecularWeight: 366.34414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO6/c1-2-3-9-27-20(26)13-5-4-6-14(10-13)21-17(22)15-8-7-12(19(24)25)11-16(15)18(21)23/h4-8,10-11H,2-3,9H2,1H3,(H,24,25)/p-1