2-[5,9-bis(oxidanylidene)-1,4,7,10-tetrazacyclododec-1-yl]ethanenitrile

Systemtic Name: 2-[5,9-bis(oxidanylidene)-1,4,7,10-tetrazacyclododec-1-yl]ethanenitrile Openeye Name: 2-(5,9-dioxo-1,4,7,10-tetrazacyclododec-1-yl)acetonitrile CAS Name: 2-(5,9-dioxo-1,4,7,10-tetrazacyclododec-1-yl)acetonitrile IUPAC Name: 2-(5,9-dioxo-1,4,7,10-tetrazacyclododec-1-yl)acetonitrile Traditional Name: 2-(5,9-diketo-1,4,7,10-tetrazacyclododec-1-yl)acetonitrile Formula: C10H17N5O2 MolecularWeight: 239.27428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNC(=O)CNCC(=O)N1)CC#N

Isomeric SMILES

C1CN(CCNC(=O)CNCC(=O)N1)CC#N

InChI

InChI=1S/C10H17N5O2/c11-1-4-15-5-2-13-9(16)7-12-8-10(17)14-3-6-15/h12H,2-8H2,(H,13,16)(H,14,17)