1,3-bis(oxidanylidene)-2-[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-prop-2-enoxy-phenyl]isoindole-5-carboxylic acid

Systemtic Name: 1,3-bis(oxidanylidene)-2-[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-prop-2-enoxy-phenyl]isoindole-5-carboxylic acid Openeye Name: 2-[4-allyloxy-3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 1,3-dioxo-2-[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-prop-2-enoxyphenyl]-5-isoindolecarboxylic acid IUPAC Name: 1,3-dioxo-2-[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-prop-2-enoxyphenyl]isoindole-5-carboxylic acid Traditional Name: 2-[4-allyloxy-3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C31H20N2O6 MolecularWeight: 516.5003

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)C4=NC5=C(O4)C=CC(=C5)C6=CC=CC=C6

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)C4=NC5=C(O4)C=CC(=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H20N2O6/c1-2-14-38-26-13-10-21(33-29(34)22-11-8-20(31(36)37)15-23(22)30(33)35)17-24(26)28-32-25-16-19(9-12-27(25)39-28)18-6-4-3-5-7-18/h2-13,15-17H,1,14H2,(H,36,37)