3-[furan-2-ylmethyl-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]amino]propanenitrile

Systemtic Name: 3-[furan-2-ylmethyl-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]amino]propanenitrile Openeye Name: 3-[2-furylmethyl-[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]propanenitrile CAS Name: 3-[2-furanylmethyl-[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]propanenitrile IUPAC Name: 3-[furan-2-ylmethyl-[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]propanenitrile Traditional Name: 3-[2-furfuryl-[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]propionitrile Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN(CCC#N)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=COC(=C1)CN(CCC#N)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H19N3O5/c18-8-2-9-19(12-17-3-1-10-24-17)11-15(21)13-25-16-6-4-14(5-7-16)20(22)23/h1,3-7,10,15,21H,2,9,11-13H2