4-[4-[butyl(methyl)amino]-3-nitro-phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-[butyl(methyl)amino]-3-nitro-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-[butyl(methyl)amino]-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-[butyl(methyl)amino]-3-nitrophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[butyl(methyl)amino]-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[butyl(methyl)amino]-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3/c1-3-4-11-22(2)16-10-9-13(12-17(16)23(25)26)18-14-7-5-6-8-15(14)19(24)21-20-18/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)