3-[3-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]indol-1-yl]propionitrile Formula: C20H15N5O2 MolecularWeight: 357.3654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C20H15N5O2/c21-10-5-11-24-12-16(14-6-2-4-9-18(14)24)19(26)13-25-20(27)15-7-1-3-8-17(15)22-23-25/h1-4,6-9,12H,5,11,13H2