5-chloranyl-2-(4-oxidanylidenecyclohexa-2,5-dien-1-yl)-3-phenyl-isoindole-1-carboxylic acid

Systemtic Name: 5-chloranyl-2-(4-oxidanylidenecyclohexa-2,5-dien-1-yl)-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 5-chloro-2-(4-oxocyclohexa-2,5-dien-1-yl)-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5-chloro-2-(4-oxo-1-cyclohexa-2,5-dienyl)-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-2-(4-oxocyclohexa-2,5-dien-1-yl)-3-phenylisoindole-1-carboxylic acid Traditional Name: 5-chloro-2-(4-ketocyclohexa-2,5-dien-1-yl)-3-phenyl-isoindole-1-carboxylic acid Formula: C21H14ClNO3 MolecularWeight: 363.79376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C(N2C4C=CC(=O)C=C4)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C(N2C4C=CC(=O)C=C4)C(=O)O)Cl

InChI

InChI=1S/C21H14ClNO3/c22-14-6-11-17-18(12-14)19(13-4-2-1-3-5-13)23(20(17)21(25)26)15-7-9-16(24)10-8-15/h1-12,15H,(H,25,26)