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

Systemtic Name: 1-methyl-3-[(4-nitrophenyl)methyl]benzotriazol-1-ium Openeye Name: 1-methyl-3-[(4-nitrophenyl)methyl]benzotriazol-1-ium CAS Name: 1-methyl-3-[(4-nitrophenyl)methyl]benzotriazol-1-ium IUPAC Name: 1-methyl-3-[(4-nitrophenyl)methyl]benzotriazol-1-ium Traditional Name: 1-methyl-3-(4-nitrobenzyl)benzotriazol-1-ium Formula: C14H13N4O2+ MolecularWeight: 269.27862

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N4O2/c1-16-13-4-2-3-5-14(13)17(15-16)10-11-6-8-12(9-7-11)18(19)20/h2-9H,10H2,1H3/q+1