5-nitro-2-[(5-nitrofuran-2-yl)methylamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[(5-nitrofuran-2-yl)methylamino]benzenecarbonitrile Openeye Name: 5-nitro-2-[(5-nitro-2-furyl)methylamino]benzonitrile CAS Name: 5-nitro-2-[(5-nitro-2-furanyl)methylamino]benzonitrile IUPAC Name: 5-nitro-2-[(5-nitrofuran-2-yl)methylamino]benzonitrile Traditional Name: 5-nitro-2-[(5-nitro-2-furyl)methylamino]benzonitrile Formula: C12H8N4O5 MolecularWeight: 288.21572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCC2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O5/c13-6-8-5-9(15(17)18)1-3-11(8)14-7-10-2-4-12(21-10)16(19)20/h1-5,14H,7H2