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

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-(pyridin-1-ium-3-ylmethyl)isoindol-5-yl]carbonylamino]-5-methyl-benzoate Openeye Name: 2-[[1,3-dioxo-2-(pyridin-1-ium-3-ylmethyl)isoindoline-5-carbonyl]amino]-5-methyl-benzoate CAS Name: 2-[[[1,3-dioxo-2-(3-pyridin-1-iumylmethyl)-5-isoindolyl]-oxomethyl]amino]-5-methylbenzoate IUPAC Name: 2-[[1,3-dioxo-2-(pyridin-1-ium-3-ylmethyl)isoindole-5-carbonyl]amino]-5-methylbenzoate Traditional Name: 2-[[1,3-diketo-2-(pyridin-1-ium-3-ylmethyl)isoindoline-5-carbonyl]amino]-5-methyl-benzoate Formula: C23H17N3O5 MolecularWeight: 415.39818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=C[NH+]=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=C[NH+]=CC=C4)C(=O)[O-]

InChI

InChI=1S/C23H17N3O5/c1-13-4-7-19(18(9-13)23(30)31)25-20(27)15-5-6-16-17(10-15)22(29)26(21(16)28)12-14-3-2-8-24-11-14/h2-11H,12H2,1H3,(H,25,27)(H,30,31)