2-[3-(cyanomethyl)phenyl]-1-nitro-guanidine

Systemtic Name: 2-[3-(cyanomethyl)phenyl]-1-nitro-guanidine Openeye Name: 2-[3-(cyanomethyl)phenyl]-1-nitro-guanidine CAS Name: 2-[3-(cyanomethyl)phenyl]-1-nitroguanidine IUPAC Name: 2-[3-(cyanomethyl)phenyl]-1-nitroguanidine Traditional Name: 2-[3-(cyanomethyl)phenyl]-1-nitro-guanidine Formula: C9H9N5O2 MolecularWeight: 219.20006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N5O2/c10-5-4-7-2-1-3-8(6-7)12-9(11)13-14(15)16/h1-3,6H,4H2,(H3,11,12,13)