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

Systemtic Name: 2-butyl-5-(2,3-dihydro-1,4-benzoxazin-4-ylcarbonyl)isoindole-1,3-dione Openeye Name: 2-butyl-5-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)isoindoline-1,3-dione CAS Name: 2-butyl-5-[2,3-dihydro-1,4-benzoxazin-4-yl(oxo)methyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)isoindole-1,3-dione Traditional Name: 2-butyl-5-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)isoindoline-1,3-quinone Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCOC4=CC=CC=C43

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCOC4=CC=CC=C43

InChI

InChI=1S/C21H20N2O4/c1-2-3-10-23-20(25)15-9-8-14(13-16(15)21(23)26)19(24)22-11-12-27-18-7-5-4-6-17(18)22/h4-9,13H,2-3,10-12H2,1H3