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

Systemtic Name: 4-[[[2-(3-acetyloxyphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]methyl]benzoate Openeye Name: 4-[[[2-(3-acetoxyphenyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[2-(3-acetyloxyphenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-(3-acetyloxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(3-acetoxyphenyl)-1,3-diketo-isoindoline-5-carbonyl]amino]methyl]benzoate Formula: C25H17N2O7- MolecularWeight: 457.41168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C25H18N2O7/c1-14(28)34-19-4-2-3-18(12-19)27-23(30)20-10-9-17(11-21(20)24(27)31)22(29)26-13-15-5-7-16(8-6-15)25(32)33/h2-12H,13H2,1H3,(H,26,29)(H,32,33)/p-1