(3E)-7-nitro-3-(2-oxidanylidenepentylidene)-2-(phenylmethyl)isoindol-1-one

Systemtic Name: (3E)-7-nitro-3-(2-oxidanylidenepentylidene)-2-(phenylmethyl)isoindol-1-one Openeye Name: (3E)-2-benzyl-7-nitro-3-(2-oxopentylidene)isoindolin-1-one CAS Name: (3E)-7-nitro-3-(2-oxopentylidene)-2-(phenylmethyl)-1-isoindolone IUPAC Name: (3E)-2-benzyl-7-nitro-3-(2-oxopentylidene)isoindol-1-one Traditional Name: (3E)-2-benzyl-3-(2-ketopentylidene)-7-nitro-isoindolin-1-one Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C=C1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)/C=C/1\C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4/c1-2-7-15(23)12-18-16-10-6-11-17(22(25)26)19(16)20(24)21(18)13-14-8-4-3-5-9-14/h3-6,8-12H,2,7,13H2,1H3/b18-12+