2-(3-ethynylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-(3-ethynylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-(3-ethynylphenyl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-(3-ethynylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-(3-ethynylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid Formula: C17H9NO4 MolecularWeight: 291.25766

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O

Isomeric SMILES

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C17H9NO4/c1-2-10-4-3-5-12(8-10)18-15(19)13-7-6-11(17(21)22)9-14(13)16(18)20/h1,3-9H,(H,21,22)