3-bromanyl-4-[(5-nitrofuran-2-yl)methylamino]benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-[(5-nitrofuran-2-yl)methylamino]benzenecarbonitrile Openeye Name: 3-bromo-4-[(5-nitro-2-furyl)methylamino]benzonitrile CAS Name: 3-bromo-4-[(5-nitro-2-furanyl)methylamino]benzonitrile IUPAC Name: 3-bromo-4-[(5-nitrofuran-2-yl)methylamino]benzonitrile Traditional Name: 3-bromo-4-[(5-nitro-2-furyl)methylamino]benzonitrile Formula: C12H8BrN3O3 MolecularWeight: 322.11422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)Br)NCC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C#N)Br)NCC2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C12H8BrN3O3/c13-10-5-8(6-14)1-3-11(10)15-7-9-2-4-12(19-9)16(17)18/h1-5,15H,7H2