7-ethoxy-2-(4-fluorophenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 7-ethoxy-2-(4-fluorophenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 7-ethoxy-2-(4-fluorophenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 7-ethoxy-2-(4-fluorophenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 7-ethoxy-2-(4-fluorophenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 7-ethoxy-2-(4-fluorophenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Formula: C22H18FN4O3+ MolecularWeight: 405.401723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)F)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)F)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17FN4O3/c1-2-30-18-11-12-20-19(13-18)21(14-5-9-17(10-6-14)27(28)29)25-26-22(24-20)15-3-7-16(23)8-4-15/h3-13,25H,2H2,1H3/p+1