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

Systemtic Name: 1,3-bis(oxidanylidene)-2-(2-phenyl-1,3-benzoxazol-5-yl)isoindole-5-carboxylic acid Openeye Name: 1,3-dioxo-2-(2-phenyl-1,3-benzoxazol-5-yl)isoindoline-5-carboxylic acid CAS Name: 1,3-dioxo-2-(2-phenyl-1,3-benzoxazol-5-yl)-5-isoindolecarboxylic acid IUPAC Name: 1,3-dioxo-2-(2-phenyl-1,3-benzoxazol-5-yl)isoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-(2-phenyl-1,3-benzoxazol-5-yl)isoindoline-5-carboxylic acid Formula: C22H12N2O5 MolecularWeight: 384.34108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

InChI

InChI=1S/C22H12N2O5/c25-20-15-8-6-13(22(27)28)10-16(15)21(26)24(20)14-7-9-18-17(11-14)23-19(29-18)12-4-2-1-3-5-12/h1-11H,(H,27,28)