2-(3-ethynylphenyl)-5-nitro-benzo[e]isoindole-1,3-dione

Systemtic Name: 2-(3-ethynylphenyl)-5-nitro-benzo[e]isoindole-1,3-dione Openeye Name: 2-(3-ethynylphenyl)-5-nitro-benzo[e]isoindole-1,3-dione CAS Name: 2-(3-ethynylphenyl)-5-nitrobenzo[e]isoindole-1,3-dione IUPAC Name: 2-(3-ethynylphenyl)-5-nitrobenzo[e]isoindole-1,3-dione Traditional Name: 2-(3-ethynylphenyl)-5-nitro-benz[e]isoindole-1,3-quinone Formula: C20H10N2O4 MolecularWeight: 342.3044

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C4=CC=CC=C4C(=C3)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C4=CC=CC=C4C(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H10N2O4/c1-2-12-6-5-7-13(10-12)21-19(23)16-11-17(22(25)26)14-8-3-4-9-15(14)18(16)20(21)24/h1,3-11H