4-[11,13-bis(oxidanylidene)-1,4,7,10-tetrazacyclotridec-12-yl]butanenitrile

Systemtic Name: 4-[11,13-bis(oxidanylidene)-1,4,7,10-tetrazacyclotridec-12-yl]butanenitrile Openeye Name: 4-(11,13-dioxo-1,4,7,10-tetrazacyclotridec-12-yl)butanenitrile CAS Name: 4-(11,13-dioxo-1,4,7,10-tetrazacyclotridec-12-yl)butanenitrile IUPAC Name: 4-(11,13-dioxo-1,4,7,10-tetrazacyclotridec-12-yl)butanenitrile Traditional Name: 4-(11,13-diketo-1,4,7,10-tetrazacyclotridec-12-yl)butyronitrile Formula: C13H23N5O2 MolecularWeight: 281.35402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNC(=O)C(C(=O)NCCN1)CCCC#N

Isomeric SMILES

C1CNCCNC(=O)C(C(=O)NCCN1)CCCC#N

InChI

InChI=1S/C13H23N5O2/c14-4-2-1-3-11-12(19)17-9-7-15-5-6-16-8-10-18-13(11)20/h11,15-16H,1-3,5-10H2,(H,17,19)(H,18,20)