4-(3-nitro-4-pyrrolidin-1-yl-phenyl)-2H-phthalazin-1-one

Systemtic Name: 4-(3-nitro-4-pyrrolidin-1-yl-phenyl)-2H-phthalazin-1-one Openeye Name: 4-(3-nitro-4-pyrrolidin-1-yl-phenyl)-2H-phthalazin-1-one CAS Name: 4-[3-nitro-4-(1-pyrrolidinyl)phenyl]-2H-phthalazin-1-one IUPAC Name: 4-(3-nitro-4-pyrrolidin-1-ylphenyl)-2H-phthalazin-1-one Traditional Name: 4-(3-nitro-4-pyrrolidino-phenyl)-2H-phthalazin-1-one Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3/c23-18-14-6-2-1-5-13(14)17(19-20-18)12-7-8-15(16(11-12)22(24)25)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,23)