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

Systemtic Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]urea Openeye Name: [(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]urea CAS Name: [(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]urea IUPAC Name: [(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]urea Traditional Name: [(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]urea Formula: C9H8N4O5 MolecularWeight: 252.18362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N4O5/c10-9(14)12-11-3-5-1-7-8(18-4-17-7)2-6(5)13(15)16/h1-3H,4H2,(H3,10,12,14)/b11-3+