N-[(1-methylpyrazol-4-yl)-(5-nitrofuran-2-yl)methyl]propan-1-amine

Systemtic Name: N-[(1-methylpyrazol-4-yl)-(5-nitrofuran-2-yl)methyl]propan-1-amine Openeye Name: N-[(1-methylpyrazol-4-yl)-(5-nitro-2-furyl)methyl]propan-1-amine CAS Name: N-[(1-methyl-4-pyrazolyl)-(5-nitro-2-furanyl)methyl]-1-propanamine IUPAC Name: N-[(1-methylpyrazol-4-yl)-(5-nitrofuran-2-yl)methyl]propan-1-amine Traditional Name: [(1-methylpyrazol-4-yl)-(5-nitro-2-furyl)methyl]-propyl-amine Formula: C12H16N4O3 MolecularWeight: 264.28044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C1=CC=C(O1)[N+](=O)[O-])C2=CN(N=C2)C

Isomeric SMILES

CCCNC(C1=CC=C(O1)[N+](=O)[O-])C2=CN(N=C2)C

InChI

InChI=1S/C12H16N4O3/c1-3-6-13-12(9-7-14-15(2)8-9)10-4-5-11(19-10)16(17)18/h4-5,7-8,12-13H,3,6H2,1-2H3