3-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-cyanophenyl)propanoic acid

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-cyanophenyl)propanoic acid Openeye Name: 3-(4-cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanoic acid CAS Name: 3-(4-cyanophenyl)-3-(1,3-dioxo-2-isoindolyl)propanoic acid IUPAC Name: 3-(4-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanoic acid Traditional Name: 3-(4-cyanophenyl)-3-phthalimido-propionic acid Formula: C18H12N2O4 MolecularWeight: 320.29888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC(=O)O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC(=O)O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H12N2O4/c19-10-11-5-7-12(8-6-11)15(9-16(21)22)20-17(23)13-3-1-2-4-14(13)18(20)24/h1-8,15H,9H2,(H,21,22)