7-nitro-3-oxidanyl-3-(2-phenylethynyl)-2-(phenylmethyl)isoindol-1-one

Systemtic Name: 7-nitro-3-oxidanyl-3-(2-phenylethynyl)-2-(phenylmethyl)isoindol-1-one Openeye Name: 2-benzyl-3-hydroxy-7-nitro-3-(2-phenylethynyl)isoindolin-1-one CAS Name: 3-hydroxy-7-nitro-3-(2-phenylethynyl)-2-(phenylmethyl)-1-isoindolone IUPAC Name: 2-benzyl-3-hydroxy-7-nitro-3-(2-phenylethynyl)isoindol-1-one Traditional Name: 2-benzyl-3-hydroxy-7-nitro-3-(2-phenylethynyl)isoindolin-1-one Formula: C23H16N2O4 MolecularWeight: 384.38414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C2(C#CC4=CC=CC=C4)O)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C2(C#CC4=CC=CC=C4)O)C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H16N2O4/c26-22-21-19(12-7-13-20(21)25(28)29)23(27,15-14-17-8-3-1-4-9-17)24(22)16-18-10-5-2-6-11-18/h1-13,27H,16H2