N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzamide

Systemtic Name: N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzamide Openeye Name: N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxo-isoindolin-2-yl]benzamide CAS Name: N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxo-2-isoindolyl]benzamide IUPAC Name: N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide Traditional Name: 3-[1,3-diketo-5-(3-nitrophenoxy)isoindolin-2-yl]-N-(3-ethynylphenyl)benzamide Formula: C29H17N3O6 MolecularWeight: 503.46178

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H17N3O6/c1-2-18-6-3-8-20(14-18)30-27(33)19-7-4-9-21(15-19)31-28(34)25-13-12-24(17-26(25)29(31)35)38-23-11-5-10-22(16-23)32(36)37/h1,3-17H,(H,30,33)