2-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-nitro-guanidine hydrochloride

Systemtic Name: 2-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-nitro-guanidine hydrochloride Openeye Name: 2-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-nitro-guanidine hydrochloride CAS Name: 2-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-nitroguanidine hydrochloride IUPAC Name: 2-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-nitroguanidine hydrochloride Traditional Name: 2-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-nitro-guanidine hydrochloride Formula: C9H11ClF3N5O2 MolecularWeight: 313.66415

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)N=C(N)N[N+](=O)[O-])CN.Cl

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)N=C(N)N[N+](=O)[O-])CN.Cl

InChI

InChI=1S/C9H10F3N5O2.ClH/c10-9(11,12)6-1-5(4-13)2-7(3-6)15-8(14)16-17(18)19;/h1-3H,4,13H2,(H3,14,15,16);1H