N-[4-[6-[(3,5-dinitrophenyl)carbonylamino]-1H-benzimidazol-2-yl]phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[6-[(3,5-dinitrophenyl)carbonylamino]-1H-benzimidazol-2-yl]phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[6-[(3,5-dinitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[6-[[(3,5-dinitrophenyl)-oxomethyl]amino]-1H-benzimidazol-2-yl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[6-[(3,5-dinitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[6-[(3,5-dinitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,5-dinitro-benzamide Formula: C27H16N8O10 MolecularWeight: 612.46354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H16N8O10/c36-26(15-7-19(32(38)39)12-20(8-15)33(40)41)28-17-3-1-14(2-4-17)25-30-23-6-5-18(11-24(23)31-25)29-27(37)16-9-21(34(42)43)13-22(10-16)35(44)45/h1-13H,(H,28,36)(H,29,37)(H,30,31)