2-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]isoindoline-5-carboxylic acid Formula: C23H14N2O5 MolecularWeight: 398.36766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

InChI

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