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

Systemtic Name: 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: 4-(5-methyl-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-(5-methyl-1,3-dioxo-2-isoindolyl)benzoate IUPAC Name: 4-(5-methyl-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)benzoate Formula: C16H10NO4- MolecularWeight: 280.2549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H11NO4/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)11-5-3-10(4-6-11)16(20)21/h2-8H,1H3,(H,20,21)/p-1