2-[4-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]phenyl]ethanenitrile Openeye Name: 2-[4-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)ethyl]phenyl]acetonitrile CAS Name: 2-[4-[2-(4-nitro-1,3-dioxo-2-isoindolyl)ethyl]phenyl]acetonitrile IUPAC Name: 2-[4-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]phenyl]acetonitrile Traditional Name: 2-[4-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)ethyl]phenyl]acetonitrile Formula: C18H13N3O4 MolecularWeight: 335.31352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C18H13N3O4/c19-10-8-12-4-6-13(7-5-12)9-11-20-17(22)14-2-1-3-15(21(24)25)16(14)18(20)23/h1-7H,8-9,11H2