5-[2-[[(E)-1-(methylamino)-2-nitro-ethenyl]amino]ethylsulfanylmethyl]furan-2-carbaldehyde

Systemtic Name: 5-[2-[[(E)-1-(methylamino)-2-nitro-ethenyl]amino]ethylsulfanylmethyl]furan-2-carbaldehyde Openeye Name: 5-[2-[[(E)-1-(methylamino)-2-nitro-vinyl]amino]ethylsulfanylmethyl]furan-2-carbaldehyde CAS Name: 5-[[2-[[(E)-1-(methylamino)-2-nitroethenyl]amino]ethylthio]methyl]-2-furancarboxaldehyde IUPAC Name: 5-[2-[[(E)-1-(methylamino)-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-carbaldehyde Traditional Name: 5-[[2-[[(E)-1-(methylamino)-2-nitro-vinyl]amino]ethylthio]methyl]furfural Formula: C11H15N3O4S MolecularWeight: 285.3195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)C=O

Isomeric SMILES

CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)C=O

InChI

InChI=1S/C11H15N3O4S/c1-12-11(6-14(16)17)13-4-5-19-8-10-3-2-9(7-15)18-10/h2-3,6-7,12-13H,4-5,8H2,1H3/b11-6+