2-[5-azanyl-6-(2-cyanopyrrolidin-1-yl)-6-oxidanylidene-hexyl]-1-nitro-guanidine

Systemtic Name: 2-[5-azanyl-6-(2-cyanopyrrolidin-1-yl)-6-oxidanylidene-hexyl]-1-nitro-guanidine Openeye Name: 2-[5-amino-6-(2-cyanopyrrolidin-1-yl)-6-oxo-hexyl]-1-nitro-guanidine CAS Name: 2-[5-amino-6-(2-cyano-1-pyrrolidinyl)-6-oxohexyl]-1-nitroguanidine IUPAC Name: 2-[5-amino-6-(2-cyanopyrrolidin-1-yl)-6-oxohexyl]-1-nitroguanidine Traditional Name: 2-[5-amino-6-(2-cyanopyrrolidino)-6-keto-hexyl]-1-nitro-guanidine Formula: C12H21N7O3 MolecularWeight: 311.34024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN=C(N)N[N+](=O)[O-])N)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN=C(N)N[N+](=O)[O-])N)C#N

InChI

InChI=1S/C12H21N7O3/c13-8-9-4-3-7-18(9)11(20)10(14)5-1-2-6-16-12(15)17-19(21)22/h9-10H,1-7,14H2,(H3,15,16,17)