2-[3-[(7-nitro-1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)methyl]phenyl]ethanenitrile

Systemtic Name: 2-[3-[(7-nitro-1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)methyl]phenyl]ethanenitrile Openeye Name: 2-[3-[(3-hydroxy-4-nitro-1-oxo-isoindolin-2-yl)methyl]phenyl]acetonitrile CAS Name: 2-[3-[(1-hydroxy-7-nitro-3-oxo-1H-isoindol-2-yl)methyl]phenyl]acetonitrile IUPAC Name: 2-[3-[(1-hydroxy-7-nitro-3-oxo-1H-isoindol-2-yl)methyl]phenyl]acetonitrile Traditional Name: 2-[3-[(3-hydroxy-1-keto-4-nitro-isoindolin-2-yl)methyl]phenyl]acetonitrile Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O4/c18-8-7-11-3-1-4-12(9-11)10-19-16(21)13-5-2-6-14(20(23)24)15(13)17(19)22/h1-6,9,17,22H,7,10H2