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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCCCCOC(=O)C1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H19NO6/c1-2-3-6-11-28-21(27)15-7-4-5-8-17(15)22-18(23)14-10-9-13(20(25)26)12-16(14)19(22)24/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,25,26)/p-1