1,2,3-tris[(E)-(2-methoxy-4-nitro-phenyl)methylideneamino]guanidine hydrochloride

Systemtic Name: 1,2,3-tris[(E)-(2-methoxy-4-nitro-phenyl)methylideneamino]guanidine hydrochloride Openeye Name: 1,2,3-tris[(E)-(2-methoxy-4-nitro-phenyl)methyleneamino]guanidine hydrochloride CAS Name: 1,2,3-tris[(E)-(2-methoxy-4-nitrophenyl)methylideneamino]guanidine hydrochloride IUPAC Name: 1,2,3-tris[(E)-(2-methoxy-4-nitrophenyl)methylideneamino]guanidine hydrochloride Traditional Name: 1,2,3-tris[(E)-(2-methoxy-4-nitro-benzylidene)amino]guanidine hydrochloride Formula: C25H24ClN9O9 MolecularWeight: 629.96596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])C=NNC(=NN=CC2=C(C=C(C=C2)[N+](=O)[O-])OC)NN=CC3=C(C=C(C=C3)[N+](=O)[O-])OC.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])/C=N/NC(=N/N=C/C2=C(C=C(C=C2)[N+](=O)[O-])OC)N/N=C/C3=C(C=C(C=C3)[N+](=O)[O-])OC.Cl

InChI

InChI=1S/C25H23N9O9.ClH/c1-41-22-10-19(32(35)36)7-4-16(22)13-26-29-25(30-27-14-17-5-8-20(33(37)38)11-23(17)42-2)31-28-15-18-6-9-21(34(39)40)12-24(18)43-3;/h4-15H,1-3H3,(H2,29,30,31);1H/b26-13+,27-14+,28-15+;