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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=[NH+]2)OC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=[NH+]2)OC)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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