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

Systemtic Name: 1,3-bis(oxidanylidene)-2-[3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]isoindole-5-carboxylic acid Openeye Name: 1,3-dioxo-2-[3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]isoindoline-5-carboxylic acid CAS Name: 1,3-dioxo-2-[3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]-5-isoindolecarboxylic acid IUPAC Name: 1,3-dioxo-2-[3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]isoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-[3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]isoindoline-5-carboxylic acid Formula: C28H16N2O5 MolecularWeight: 460.43704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)O

InChI

InChI=1S/C28H16N2O5/c31-26-21-11-9-19(28(33)34)14-22(21)27(32)30(26)20-8-4-7-18(13-20)25-29-23-15-17(10-12-24(23)35-25)16-5-2-1-3-6-16/h1-15H,(H,33,34)