4-[1-[(5-nitrofuran-2-yl)methylamino]ethyl]benzenecarbonitrile

Systemtic Name: 4-[1-[(5-nitrofuran-2-yl)methylamino]ethyl]benzenecarbonitrile Openeye Name: 4-[1-[(5-nitro-2-furyl)methylamino]ethyl]benzonitrile CAS Name: 4-[1-[(5-nitro-2-furanyl)methylamino]ethyl]benzonitrile IUPAC Name: 4-[1-[(5-nitrofuran-2-yl)methylamino]ethyl]benzonitrile Traditional Name: 4-[1-[(5-nitro-2-furyl)methylamino]ethyl]benzonitrile Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3/c1-10(12-4-2-11(8-15)3-5-12)16-9-13-6-7-14(20-13)17(18)19/h2-7,10,16H,9H2,1H3