2-(4-ethoxyphenyl)-7-ethyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 2-(4-ethoxyphenyl)-7-ethyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 2-(4-ethoxyphenyl)-7-ethyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 2-(4-ethoxyphenyl)-7-ethyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 2-(4-ethoxyphenyl)-7-ethyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 7-ethyl-5-(4-nitrophenyl)-2-p-phenetyl-4H-1,3,4-benzotriazepin-1-ium Formula: C24H23N4O3+ MolecularWeight: 415.46442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)OCC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)OCC)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O3/c1-3-16-5-14-22-21(15-16)23(17-6-10-19(11-7-17)28(29)30)26-27-24(25-22)18-8-12-20(13-9-18)31-4-2/h5-15,26H,3-4H2,1-2H3/p+1