4-[3-nitro-4-[[(2R)-2-oxidanylpropyl]amino]phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[3-nitro-4-[[(2R)-2-oxidanylpropyl]amino]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-[[(2R)-2-hydroxypropyl]amino]-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-[[(2R)-2-hydroxypropyl]amino]-3-nitrophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[[(2R)-2-hydroxypropyl]amino]-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[[(2R)-2-hydroxypropyl]amino]-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C17H16N4O4 MolecularWeight: 340.33334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-])O

Isomeric SMILES

C[C@H](CNC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-])O

InChI

InChI=1S/C17H16N4O4/c1-10(22)9-18-14-7-6-11(8-15(14)21(24)25)16-12-4-2-3-5-13(12)17(23)20-19-16/h2-8,10,18,22H,9H2,1H3,(H,20,23)/t10-/m1/s1