2-[(E)-(phenylmethylidene)amino]guanidine; 1,3,5-trinitrobenzene

Systemtic Name: 2-[(E)-(phenylmethylidene)amino]guanidine; 1,3,5-trinitrobenzene Openeye Name: 2-[(E)-benzylideneamino]guanidine; 1,3,5-trinitrobenzene CAS Name: 2-[(E)-(phenylmethylene)amino]guanidine; 1,3,5-trinitrobenzene IUPAC Name: 2-[(E)-benzylideneamino]guanidine; 1,3,5-trinitrobenzene Traditional Name: 2-[(E)-benzalamino]guanidine; 1,3,5-trinitrobenzene Formula: C14H13N7O6 MolecularWeight: 375.29632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N4.C6H3N3O6/c9-8(10)12-11-6-7-4-2-1-3-5-7;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-6H,(H4,9,10,12);1-3H/b11-6+;