3-(1H-benzimidazol-2-yl)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid

Systemtic Name: 3-(1H-benzimidazol-2-yl)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-(1H-benzimidazol-2-yl)-3-(1,3-dioxoisoindolin-2-yl)propanoic acid CAS Name: 3-(1H-benzimidazol-2-yl)-3-(1,3-dioxo-2-isoindolyl)propanoic acid IUPAC Name: 3-(1H-benzimidazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanoic acid Traditional Name: 3-(1H-benzimidazol-2-yl)-3-phthalimido-propionic acid Formula: C18H13N3O4 MolecularWeight: 335.31352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC(=O)O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC(=O)O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H13N3O4/c22-15(23)9-14(16-19-12-7-3-4-8-13(12)20-16)21-17(24)10-5-1-2-6-11(10)18(21)25/h1-8,14H,9H2,(H,19,20)(H,22,23)