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

Systemtic Name: 2-[3-[[4-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]ethanenitrile Openeye Name: 2-[3-[(4-amino-1,3-dioxo-isoindolin-2-yl)methyl]phenyl]acetonitrile CAS Name: 2-[3-[(4-amino-1,3-dioxo-2-isoindolyl)methyl]phenyl]acetonitrile IUPAC Name: 2-[3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]phenyl]acetonitrile Traditional Name: 2-[3-[(4-amino-1,3-diketo-isoindolin-2-yl)methyl]phenyl]acetonitrile Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N)CC#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N)CC#N

InChI

InChI=1S/C17H13N3O2/c18-8-7-11-3-1-4-12(9-11)10-20-16(21)13-5-2-6-14(19)15(13)17(20)22/h1-6,9H,7,10,19H2