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

Systemtic Name: 2-methyl-4-[3-nitro-4-(3-oxidanylpropylamino)phenyl]phthalazin-1-one Openeye Name: 4-[4-(3-hydroxypropylamino)-3-nitro-phenyl]-2-methyl-phthalazin-1-one CAS Name: 4-[4-(3-hydroxypropylamino)-3-nitrophenyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-(3-hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(3-hydroxypropylamino)-3-nitro-phenyl]-2-methyl-phthalazin-1-one Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NCCCO)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NCCCO)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4/c1-21-18(24)14-6-3-2-5-13(14)17(20-21)12-7-8-15(19-9-4-10-23)16(11-12)22(25)26/h2-3,5-8,11,19,23H,4,9-10H2,1H3