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

Systemtic Name: 7-nitro-3-oxidanyl-3-pent-1-ynyl-2-(phenylmethyl)isoindol-1-one Openeye Name: 2-benzyl-3-hydroxy-7-nitro-3-pent-1-ynyl-isoindolin-1-one CAS Name: 3-hydroxy-7-nitro-3-pent-1-ynyl-2-(phenylmethyl)-1-isoindolone IUPAC Name: 2-benzyl-3-hydroxy-7-nitro-3-pent-1-ynylisoindol-1-one Traditional Name: 2-benzyl-3-hydroxy-7-nitro-3-pent-1-ynyl-isoindolin-1-one Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1(C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)N1CC3=CC=CC=C3)O

Isomeric SMILES

CCCC#CC1(C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)N1CC3=CC=CC=C3)O

InChI

InChI=1S/C20H18N2O4/c1-2-3-7-13-20(24)16-11-8-12-17(22(25)26)18(16)19(23)21(20)14-15-9-5-4-6-10-15/h4-6,8-12,24H,2-3,14H2,1H3