4-[[[1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindol-5-yl]carbonylamino]methyl]benzoate

Systemtic Name: 4-[[[1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindol-5-yl]carbonylamino]methyl]benzoate Openeye Name: 4-[[[1,3-dioxo-2-(3-pyridylmethyl)isoindoline-5-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolyl]-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1,3-diketo-2-(3-pyridylmethyl)isoindoline-5-carbonyl]amino]methyl]benzoate Formula: C23H16N3O5- MolecularWeight: 414.39024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C23H17N3O5/c27-20(25-12-14-3-5-16(6-4-14)23(30)31)17-7-8-18-19(10-17)22(29)26(21(18)28)13-15-2-1-9-24-11-15/h1-11H,12-13H2,(H,25,27)(H,30,31)/p-1