2-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C23H14N2O5 MolecularWeight: 398.36766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

InChI

InChI=1S/C23H14N2O5/c1-12-6-7-13(20-24-17-4-2-3-5-19(17)30-20)11-18(12)25-21(26)15-9-8-14(23(28)29)10-16(15)22(25)27/h2-11H,1H3,(H,28,29)