4-[3-nitro-4-(3-oxidanylpropylamino)phenyl]-2H-phthalazin-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=C(C=C3)NCCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=C(C=C3)NCCCO)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4/c22-9-3-8-18-14-7-6-11(10-15(14)21(24)25)16-12-4-1-2-5-13(12)17(23)20-19-16/h1-2,4-7,10,18,22H,3,8-9H2,(H,20,23)