4-[1,3-bis(oxidanylidene)-2-(pyridin-4-ylcarbonylamino)isoindol-5-yl]carbonylbenzoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)-2-(pyridin-4-ylcarbonylamino)isoindol-5-yl]carbonylbenzoic acid Openeye Name: 4-[1,3-dioxo-2-(pyridine-4-carbonylamino)isoindoline-5-carbonyl]benzoic acid CAS Name: 4-[[1,3-dioxo-2-[[oxo(pyridin-4-yl)methyl]amino]-5-isoindolyl]-oxomethyl]benzoic acid IUPAC Name: 4-[1,3-dioxo-2-(pyridine-4-carbonylamino)isoindole-5-carbonyl]benzoic acid Traditional Name: 4-(2-isonicotinamido-1,3-diketo-isoindoline-5-carbonyl)benzoic acid Formula: C22H13N3O6 MolecularWeight: 415.35512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)NC(=O)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)NC(=O)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C22H13N3O6/c26-18(12-1-3-14(4-2-12)22(30)31)15-5-6-16-17(11-15)21(29)25(20(16)28)24-19(27)13-7-9-23-10-8-13/h1-11H,(H,24,27)(H,30,31)