2-nitro-1-nitroso-1-(phenylmethyl)guanidine

Systemtic Name: 2-nitro-1-nitroso-1-(phenylmethyl)guanidine Openeye Name: 1-benzyl-2-nitro-1-nitroso-guanidine CAS Name: 2-nitro-1-nitroso-1-(phenylmethyl)guanidine IUPAC Name: 1-benzyl-2-nitro-1-nitrosoguanidine Traditional Name: 1-benzyl-2-nitro-1-nitroso-guanidine Formula: C8H9N5O3 MolecularWeight: 223.18876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N5O3/c9-8(10-13(15)16)12(11-14)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)