2-[2,5-bis(oxidanylidene)-3,4-dihydro-1,4-benzodiazepin-1-yl]ethanenitrile

Systemtic Name: 2-[2,5-bis(oxidanylidene)-3,4-dihydro-1,4-benzodiazepin-1-yl]ethanenitrile Openeye Name: 2-(2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl)acetonitrile CAS Name: 2-(2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl)acetonitrile IUPAC Name: 2-(2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl)acetonitrile Traditional Name: 2-(2,5-diketo-3,4-dihydro-1,4-benzodiazepin-1-yl)acetonitrile Formula: C11H9N3O2 MolecularWeight: 215.20806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2C(=O)N1)CC#N

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2C(=O)N1)CC#N

InChI

InChI=1S/C11H9N3O2/c12-5-6-14-9-4-2-1-3-8(9)11(16)13-7-10(14)15/h1-4H,6-7H2,(H,13,16)