5-(4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione

Systemtic Name: 5-(4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione Openeye Name: 5-(4-oxo-3,1-benzoxazin-2-yl)-2-(2,4,6-trimethylphenyl)isoindoline-1,3-dione CAS Name: 5-(4-oxo-3,1-benzoxazin-2-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione IUPAC Name: 5-(4-oxo-3,1-benzoxazin-2-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione Traditional Name: 5-(4-keto-3,1-benzoxazin-2-yl)-2-mesityl-isoindoline-1,3-quinone Formula: C25H18N2O4 MolecularWeight: 410.42142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4)C

InChI

InChI=1S/C25H18N2O4/c1-13-10-14(2)21(15(3)11-13)27-23(28)17-9-8-16(12-19(17)24(27)29)22-26-20-7-5-4-6-18(20)25(30)31-22/h4-12H,1-3H3