2-(3-ethynylphenyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(3-ethynylphenyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(3-ethynylphenyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(3-ethynylphenyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(3-ethynylphenyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(3-ethynylphenyl)-5-nitro-isoindoline-1,3-quinone Formula: C16H8N2O4 MolecularWeight: 292.24572

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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)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H8N2O4/c1-2-10-4-3-5-11(8-10)17-15(19)13-7-6-12(18(21)22)9-14(13)16(17)20/h1,3-9H