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

Systemtic Name: 2-(3-ethynylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-(3-ethynylphenyl)-5-(3-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-(3-ethynylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-(3-ethynylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-(3-ethynylphenyl)-5-(3-nitrophenoxy)isoindoline-1,3-quinone Formula: C22H12N2O5 MolecularWeight: 384.34108

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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)OC4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H12N2O5/c1-2-14-5-3-6-15(11-14)23-21(25)19-10-9-18(13-20(19)22(23)26)29-17-8-4-7-16(12-17)24(27)28/h1,3-13H