4-(3-azanylpropylamino)-5-nitro-2H-phthalazin-1-one

Systemtic Name: 4-(3-azanylpropylamino)-5-nitro-2H-phthalazin-1-one Openeye Name: 4-(3-aminopropylamino)-5-nitro-2H-phthalazin-1-one CAS Name: 4-(3-aminopropylamino)-5-nitro-2H-phthalazin-1-one IUPAC Name: 4-(3-aminopropylamino)-5-nitro-2H-phthalazin-1-one Traditional Name: 4-(3-aminopropylamino)-5-nitro-2H-phthalazin-1-one Formula: C11H13N5O3 MolecularWeight: 263.25262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=NNC2=O)NCCCN

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=NNC2=O)NCCCN

InChI

InChI=1S/C11H13N5O3/c12-5-2-6-13-10-9-7(11(17)15-14-10)3-1-4-8(9)16(18)19/h1,3-4H,2,5-6,12H2,(H,13,14)(H,15,17)