3-oxidanylidene-2-(phenylmethyl)-1H-isoindole-1-carboxylic acid

Systemtic Name: 3-oxidanylidene-2-(phenylmethyl)-1H-isoindole-1-carboxylic acid Openeye Name: 2-benzyl-3-oxo-isoindoline-1-carboxylic acid CAS Name: 3-oxo-2-(phenylmethyl)-1H-isoindole-1-carboxylic acid IUPAC Name: 2-benzyl-3-oxo-1H-isoindole-1-carboxylic acid Traditional Name: 2-benzyl-3-keto-isoindoline-1-carboxylic acid Formula: C16H13NO3 MolecularWeight: 267.27932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C16H13NO3/c18-15-13-9-5-4-8-12(13)14(16(19)20)17(15)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,20)