[4-[(4-methoxyphenyl)amino]-3,5-dinitro-phenyl]-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]methanone

Systemtic Name: [4-[(4-methoxyphenyl)amino]-3,5-dinitro-phenyl]-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]methanone Openeye Name: (2-benzyl-3H-benzimidazol-1-ium-1-yl)-[4-(4-methoxyanilino)-3,5-dinitro-phenyl]methanone CAS Name: [4-(4-methoxyanilino)-3,5-dinitrophenyl]-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]methanone IUPAC Name: (2-benzyl-3H-benzimidazol-1-ium-1-yl)-[4-(4-methoxyanilino)-3,5-dinitrophenyl]methanone Traditional Name: (2-benzyl-3H-benzimidazol-1-ium-1-yl)-[3,5-dinitro-4-(p-anisidino)phenyl]methanone Formula: C28H22N5O6+ MolecularWeight: 524.50418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[N+]3=C(NC4=CC=CC=C43)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[N+]3=C(NC4=CC=CC=C43)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H21N5O6/c1-39-21-13-11-20(12-14-21)29-27-24(32(35)36)16-19(17-25(27)33(37)38)28(34)31-23-10-6-5-9-22(23)30-26(31)15-18-7-3-2-4-8-18/h2-14,16-17H,15H2,1H3,(H,29,34)/p+1