2-[7-methyl-2,5-bis(oxidanylidene)-3,4-dihydro-1,4-benzodiazepin-1-yl]ethanenitrile

Systemtic Name: 2-[7-methyl-2,5-bis(oxidanylidene)-3,4-dihydro-1,4-benzodiazepin-1-yl]ethanenitrile Openeye Name: 2-(7-methyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl)acetonitrile CAS Name: 2-(7-methyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl)acetonitrile IUPAC Name: 2-(7-methyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl)acetonitrile Traditional Name: 2-(2,5-diketo-7-methyl-3,4-dihydro-1,4-benzodiazepin-1-yl)acetonitrile Formula: C12H11N3O2 MolecularWeight: 229.23464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)CNC2=O)CC#N

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)CNC2=O)CC#N

InChI

InChI=1S/C12H11N3O2/c1-8-2-3-10-9(6-8)12(17)14-7-11(16)15(10)5-4-13/h2-3,6H,5,7H2,1H3,(H,14,17)