3-[1,3-bis(oxidanylidene)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindol-2-yl]-2-methyl-benzoate

Systemtic Name: 3-[1,3-bis(oxidanylidene)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindol-2-yl]-2-methyl-benzoate Openeye Name: 3-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindolin-2-yl]-2-methyl-benzoate CAS Name: 3-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)-2-isoindolyl]-2-methylbenzoate IUPAC Name: 3-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]-2-methylbenzoate Traditional Name: 3-[1,3-diketo-5-(4-keto-3,1-benzoxazin-2-yl)isoindolin-2-yl]-2-methyl-benzoate Formula: C24H13N2O6- MolecularWeight: 425.36982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4)C(=O)[O-]

InChI

InChI=1S/C24H14N2O6/c1-12-14(23(29)30)6-4-8-19(12)26-21(27)15-10-9-13(11-17(15)22(26)28)20-25-18-7-3-2-5-16(18)24(31)32-20/h2-11H,1H3,(H,29,30)/p-1