2-(3-ethynylphenyl)-5-(4-nitrophenyl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(3-ethynylphenyl)-5-(4-nitrophenyl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(3-ethynylphenyl)-5-(4-nitrobenzoyl)isoindoline-1,3-dione CAS Name: 2-(3-ethynylphenyl)-5-[(4-nitrophenyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(3-ethynylphenyl)-5-(4-nitrobenzoyl)isoindole-1,3-dione Traditional Name: 2-(3-ethynylphenyl)-5-(4-nitrobenzoyl)isoindoline-1,3-quinone Formula: C23H12N2O5 MolecularWeight: 396.35178

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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)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H12N2O5/c1-2-14-4-3-5-18(12-14)24-22(27)19-11-8-16(13-20(19)23(24)28)21(26)15-6-9-17(10-7-15)25(29)30/h1,3-13H