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

Systemtic Name: 7-methoxy-5-(4-nitrophenyl)-2-phenyl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 7-methoxy-5-(4-nitrophenyl)-2-phenyl-4H-1,3,4-benzotriazepin-1-ium CAS Name: 7-methoxy-5-(4-nitrophenyl)-2-phenyl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 7-methoxy-5-(4-nitrophenyl)-2-phenyl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 7-methoxy-5-(4-nitrophenyl)-2-phenyl-4H-1,3,4-benzotriazepin-1-ium Formula: C21H17N4O3+ MolecularWeight: 373.38468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3/c1-28-17-11-12-19-18(13-17)20(14-7-9-16(10-8-14)25(26)27)23-24-21(22-19)15-5-3-2-4-6-15/h2-13,23H,1H3/p+1