4-azanyl-2-(3,4,5-triethoxyphenyl)carbonyl-isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-(3,4,5-triethoxyphenyl)carbonyl-isoindole-1,3-dione Openeye Name: 4-amino-2-(3,4,5-triethoxybenzoyl)isoindoline-1,3-dione CAS Name: 4-amino-2-[oxo-(3,4,5-triethoxyphenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-(3,4,5-triethoxybenzoyl)isoindole-1,3-dione Traditional Name: 4-amino-2-(3,4,5-triethoxybenzoyl)isoindoline-1,3-quinone Formula: C21H22N2O6 MolecularWeight: 398.40918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2C(=O)C3=C(C2=O)C(=CC=C3)N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2C(=O)C3=C(C2=O)C(=CC=C3)N

InChI

InChI=1S/C21H22N2O6/c1-4-27-15-10-12(11-16(28-5-2)18(15)29-6-3)19(24)23-20(25)13-8-7-9-14(22)17(13)21(23)26/h7-11H,4-6,22H2,1-3H3