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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-5-(pyridin-3-ylcarbonylamino)isoindol-2-yl]propanoate Openeye Name: 3-[1,3-dioxo-5-(pyridine-3-carbonylamino)isoindolin-2-yl]propanoate CAS Name: 3-[1,3-dioxo-5-[[oxo(3-pyridinyl)methyl]amino]-2-isoindolyl]propanoate IUPAC Name: 3-[1,3-dioxo-5-(pyridine-3-carbonylamino)isoindol-2-yl]propanoate Traditional Name: 3-(1,3-diketo-5-nicotinamido-isoindolin-2-yl)propionate Formula: C17H12N3O5- MolecularWeight: 338.29428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)[O-]

InChI

InChI=1S/C17H13N3O5/c21-14(22)5-7-20-16(24)12-4-3-11(8-13(12)17(20)25)19-15(23)10-2-1-6-18-9-10/h1-4,6,8-9H,5,7H2,(H,19,23)(H,21,22)/p-1