2-[2-methoxy-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[2-methoxy-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[2-methoxy-5-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[2-methoxy-5-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[2-methoxy-5-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-[5-(4-keto-3,1-benzoxazin-2-yl)-2-methoxy-phenyl]isoindoline-5-carboxylic acid Formula: C24H14N2O7 MolecularWeight: 442.37716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

InChI

InChI=1S/C24H14N2O7/c1-32-19-9-7-12(20-25-17-5-3-2-4-15(17)24(31)33-20)11-18(19)26-21(27)14-8-6-13(23(29)30)10-16(14)22(26)28/h2-11H,1H3,(H,29,30)