2-[[2-(furan-2-ylmethyl)-3-oxidanyl-propyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[2-(furan-2-ylmethyl)-3-oxidanyl-propyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[2-(2-furylmethyl)-3-hydroxy-propyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[2-(2-furanylmethyl)-3-hydroxypropyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[2-(2-furfuryl)-3-hydroxy-propyl]amino]-5-nitro-benzonitrile Formula: C15H15N3O4 MolecularWeight: 301.2973

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CC(CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CO

Isomeric SMILES

C1=COC(=C1)CC(CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CO

InChI

InChI=1S/C15H15N3O4/c16-8-12-7-13(18(20)21)3-4-15(12)17-9-11(10-19)6-14-2-1-5-22-14/h1-5,7,11,17,19H,6,9-10H2