4-[3-nitro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[3-nitro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-nitro-4-[[(2R)-tetrahydrofuran-2-yl]methylamino]phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-nitro-4-[[(2R)-2-oxolanyl]methylamino]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-nitro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-nitro-4-[[(2R)-tetrahydrofuran-2-yl]methylamino]phenyl]-2H-phthalazin-1-one Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)CNC2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4/c24-19-15-6-2-1-5-14(15)18(21-22-19)12-7-8-16(17(10-12)23(25)26)20-11-13-4-3-9-27-13/h1-2,5-8,10,13,20H,3-4,9,11H2,(H,22,24)/t13-/m1/s1