1,3-bis(oxidanylidene)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]isoindole-5-carboxylic acid

Systemtic Name: 1,3-bis(oxidanylidene)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]isoindole-5-carboxylic acid Openeye Name: 1,3-dioxo-2-[4-(2-pyridylcarbamoyl)phenyl]isoindoline-5-carboxylic acid CAS Name: 1,3-dioxo-2-[4-[oxo-(2-pyridinylamino)methyl]phenyl]-5-isoindolecarboxylic acid IUPAC Name: 1,3-dioxo-2-[4-(pyridin-2-ylcarbamoyl)phenyl]isoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-[4-(2-pyridylcarbamoyl)phenyl]isoindoline-5-carboxylic acid Formula: C21H13N3O5 MolecularWeight: 387.34502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

InChI

InChI=1S/C21H13N3O5/c25-18(23-17-3-1-2-10-22-17)12-4-7-14(8-5-12)24-19(26)15-9-6-13(21(28)29)11-16(15)20(24)27/h1-11H,(H,28,29)(H,22,23,25)