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

Systemtic Name: (3,5-dinitro-4-phenylazanyl-phenyl)-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]methanone Openeye Name: (4-anilino-3,5-dinitro-phenyl)-(2-benzyl-3H-benzimidazol-1-ium-1-yl)methanone CAS Name: (4-anilino-3,5-dinitrophenyl)-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]methanone IUPAC Name: (4-anilino-3,5-dinitrophenyl)-(2-benzyl-3H-benzimidazol-1-ium-1-yl)methanone Traditional Name: (4-anilino-3,5-dinitro-phenyl)-(2-benzyl-3H-benzimidazol-1-ium-1-yl)methanone Formula: C27H20N5O5+ MolecularWeight: 494.4782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=[N+](C3=CC=CC=C3N2)C(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])NC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=[N+](C3=CC=CC=C3N2)C(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])NC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H19N5O5/c33-27(30-22-14-8-7-13-21(22)29-25(30)15-18-9-3-1-4-10-18)19-16-23(31(34)35)26(24(17-19)32(36)37)28-20-11-5-2-6-12-20/h1-14,16-17H,15H2,(H,28,33)/p+1