3-methyl-1-[(4-nitrophenyl)methyl]phthalazin-3-ium

Systemtic Name: 3-methyl-1-[(4-nitrophenyl)methyl]phthalazin-3-ium Openeye Name: 3-methyl-1-[(4-nitrophenyl)methyl]phthalazin-3-ium CAS Name: 3-methyl-1-[(4-nitrophenyl)methyl]phthalazin-3-ium IUPAC Name: 3-methyl-1-[(4-nitrophenyl)methyl]phthalazin-3-ium Traditional Name: 3-methyl-1-(4-nitrobenzyl)phthalazin-3-ium Formula: C16H14N3O2+ MolecularWeight: 280.30126

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N3O2/c1-18-11-13-4-2-3-5-15(13)16(17-18)10-12-6-8-14(9-7-12)19(20)21/h2-9,11H,10H2,1H3/q+1