5-(2,3-dihydro-1,4-benzoxazin-4-ylcarbonyl)-2-(3-methoxypropyl)isoindole-1,3-dione

Systemtic Name: 5-(2,3-dihydro-1,4-benzoxazin-4-ylcarbonyl)-2-(3-methoxypropyl)isoindole-1,3-dione Openeye Name: 5-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-(3-methoxypropyl)isoindoline-1,3-dione CAS Name: 5-[2,3-dihydro-1,4-benzoxazin-4-yl(oxo)methyl]-2-(3-methoxypropyl)isoindole-1,3-dione IUPAC Name: 5-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-(3-methoxypropyl)isoindole-1,3-dione Traditional Name: 5-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-(3-methoxypropyl)isoindoline-1,3-quinone Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCOC4=CC=CC=C43

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCOC4=CC=CC=C43

InChI

InChI=1S/C21H20N2O5/c1-27-11-4-9-23-20(25)15-8-7-14(13-16(15)21(23)26)19(24)22-10-12-28-18-6-3-2-5-17(18)22/h2-3,5-8,13H,4,9-12H2,1H3