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

Systemtic Name: 2-[4-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]ethanenitrile Openeye Name: 2-[4-[(4-nitro-1,3-dioxo-isoindolin-2-yl)methyl]phenyl]acetonitrile CAS Name: 2-[4-[(4-nitro-1,3-dioxo-2-isoindolyl)methyl]phenyl]acetonitrile IUPAC Name: 2-[4-[(4-nitro-1,3-dioxoisoindol-2-yl)methyl]phenyl]acetonitrile Traditional Name: 2-[4-[(1,3-diketo-4-nitro-isoindolin-2-yl)methyl]phenyl]acetonitrile Formula: C17H11N3O4 MolecularWeight: 321.28694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C17H11N3O4/c18-9-8-11-4-6-12(7-5-11)10-19-16(21)13-2-1-3-14(20(23)24)15(13)17(19)22/h1-7H,8,10H2