2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-chloranyl-phenyl]carbonylbenzoic acid

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-chloranyl-phenyl]carbonylbenzoic acid Openeye Name: 2-[4-chloro-3-(1,3-dioxoisoindolin-2-yl)benzoyl]benzoic acid CAS Name: 2-[[4-chloro-3-(1,3-dioxo-2-isoindolyl)phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-chloro-3-(1,3-dioxoisoindol-2-yl)benzoyl]benzoic acid Traditional Name: 2-(4-chloro-3-phthalimido-benzoyl)benzoic acid Formula: C22H12ClNO5 MolecularWeight: 405.78738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C(=O)C4=CC=CC=C4C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C(=O)C4=CC=CC=C4C(=O)O)Cl

InChI

InChI=1S/C22H12ClNO5/c23-17-10-9-12(19(25)13-5-1-4-8-16(13)22(28)29)11-18(17)24-20(26)14-6-2-3-7-15(14)21(24)27/h1-11H,(H,28,29)