5-oxidanylidene-1,6-dihydro-[1,2,3]triazolo[5,1-d][1,3,5]benzotriazepine-3-carbonitrile

Systemtic Name: 5-oxidanylidene-1,6-dihydro-[1,2,3]triazolo[5,1-d][1,3,5]benzotriazepine-3-carbonitrile Openeye Name: 5-oxo-1,6-dihydrotriazolo[5,1-d][1,3,5]benzotriazepine-3-carbonitrile CAS Name: 5-oxo-1,6-dihydrotriazolo[5,1-d][1,3,5]benzotriazepine-3-carbonitrile IUPAC Name: 5-oxo-1,6-dihydrotriazolo[5,1-d][1,3,5]benzotriazepine-3-carbonitrile Traditional Name: 5-keto-1,6-dihydrotriazolo[5,1-d][1,3,5]benzotriazepine-3-carbonitrile Formula: C10H6N6O MolecularWeight: 226.19424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N=C3N2NN=C3C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N=C3N2NN=C3C#N

InChI

InChI=1S/C10H6N6O/c11-5-7-9-13-10(17)12-6-3-1-2-4-8(6)16(9)15-14-7/h1-4,15H,(H,12,17)