2-[3-carboxylato-4-(pyridin-3-ylmethylamino)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-[3-carboxylato-4-(pyridin-3-ylmethylamino)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-[3-carboxylato-4-(3-pyridylmethylamino)phenyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[3-carboxylato-4-(3-pyridinylmethylamino)phenyl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-[3-carboxylato-4-(pyridin-3-ylmethylamino)phenyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[3-carboxylato-4-(3-pyridylmethylamino)phenyl]-1,3-diketo-isoindoline-5-carboxylate Formula: C22H13N3O6-2 MolecularWeight: 415.35512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H15N3O6/c26-19-15-5-3-13(21(28)29)8-16(15)20(27)25(19)14-4-6-18(17(9-14)22(30)31)24-11-12-2-1-7-23-10-12/h1-10,24H,11H2,(H,28,29)(H,30,31)/p-2