2-[4-[(5-nitrofuran-2-yl)methylamino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(5-nitrofuran-2-yl)methylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[(5-nitro-2-furyl)methylamino]phenyl]acetonitrile CAS Name: 2-[4-[(5-nitro-2-furanyl)methylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[(5-nitrofuran-2-yl)methylamino]phenyl]acetonitrile Traditional Name: 2-[4-[(5-nitro-2-furyl)methylamino]phenyl]acetonitrile Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NCC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC#N)NCC2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O3/c14-8-7-10-1-3-11(4-2-10)15-9-12-5-6-13(19-12)16(17)18/h1-6,15H,7,9H2