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

Systemtic Name: 7-methoxy-2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 7-methoxy-2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 7-methoxy-2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 7-methoxy-2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 7-methoxy-2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Formula: C22H19N4O4+ MolecularWeight: 403.41066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=[NH+]2)OC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=[NH+]2)OC)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4/c1-29-17-9-5-15(6-10-17)22-23-20-12-11-18(30-2)13-19(20)21(24-25-22)14-3-7-16(8-4-14)26(27)28/h3-13,24H,1-2H3/p+1