2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]guanidine

Systemtic Name: 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]guanidine Openeye Name: 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]guanidine CAS Name: 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]guanidine IUPAC Name: 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]guanidine Traditional Name: 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]guanidine Formula: C9H9N5O4 MolecularWeight: 251.19886

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NN=C(N)N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/N=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O4/c10-9(11)13-12-3-5-1-7-8(18-4-17-7)2-6(5)14(15)16/h1-3H,4H2,(H4,10,11,13)/b12-3+