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

Systemtic Name: 7-ethoxy-2-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 7-ethoxy-5-(4-nitrophenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 7-ethoxy-2-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 7-ethoxy-2-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 7-ethoxy-5-(4-nitrophenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepin-1-ium Formula: C23H21N4O3+ MolecularWeight: 401.43784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O3/c1-3-30-19-12-13-21-20(14-19)22(16-8-10-18(11-9-16)27(28)29)25-26-23(24-21)17-6-4-15(2)5-7-17/h4-14,25H,3H2,1-2H3/p+1