5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(pyridin-3-ylmethylamino)benzoic acid

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(pyridin-3-ylmethylamino)benzoic acid Openeye Name: 5-(1,3-dioxoisoindolin-2-yl)-2-(3-pyridylmethylamino)benzoic acid CAS Name: 5-(1,3-dioxo-2-isoindolyl)-2-(3-pyridinylmethylamino)benzoic acid IUPAC Name: 5-(1,3-dioxoisoindol-2-yl)-2-(pyridin-3-ylmethylamino)benzoic acid Traditional Name: 5-phthalimido-2-(3-pyridylmethylamino)benzoic acid Formula: C21H15N3O4 MolecularWeight: 373.3615

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NCC4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NCC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C21H15N3O4/c25-19-15-5-1-2-6-16(15)20(26)24(19)14-7-8-18(17(10-14)21(27)28)23-12-13-4-3-9-22-11-13/h1-11,23H,12H2,(H,27,28)