2-(4-methoxyphenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 2-(4-methoxyphenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 2-(4-methoxyphenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 2-(4-methoxyphenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 2-(4-methoxyphenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 2-(4-methoxyphenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Formula: C22H19N4O3+ MolecularWeight: 387.41126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3/c1-14-3-12-20-19(13-14)21(15-4-8-17(9-5-15)26(27)28)24-25-22(23-20)16-6-10-18(29-2)11-7-16/h3-13,24H,1-2H3/p+1