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

Systemtic Name: 2-(3-ethynylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(3-ethynylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-ethynylphenyl)-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3-ethynylphenyl)-1,3-diketo-isoindoline-5-carboxylate Formula: C17H8NO4- MolecularWeight: 290.24972

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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)/p-1