2-(4-nitrophenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 2-(4-nitrophenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 2-(4-nitrophenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium CAS Name: 2-(4-nitrophenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 2-(4-nitrophenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 2-(4-nitrophenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Formula: C20H15N4O2+ MolecularWeight: 343.3587

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC=CC3=[NH+]C(=NN2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC=CC3=[NH+]C(=NN2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O2/c25-24(26)16-12-10-15(11-13-16)20-21-18-9-5-4-8-17(18)19(22-23-20)14-6-2-1-3-7-14/h1-13,22H/p+1