2-(3,4-dimethylphenyl)-5-(8-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione

Systemtic Name: 2-(3,4-dimethylphenyl)-5-(8-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-(3,4-dimethylphenyl)-5-(8-methyl-4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-(3,4-dimethylphenyl)-5-(8-methyl-4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(3,4-dimethylphenyl)-5-(8-methyl-4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 2-(3,4-dimethylphenyl)-5-(4-keto-8-methyl-3,1-benzoxazin-2-yl)isoindoline-1,3-quinone Formula: C25H18N2O4 MolecularWeight: 410.42142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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