5,6-dinitro-1,3-bis(phenylmethyl)benzimidazol-2-one

Systemtic Name: 5,6-dinitro-1,3-bis(phenylmethyl)benzimidazol-2-one Openeye Name: 1,3-dibenzyl-5,6-dinitro-benzimidazol-2-one CAS Name: 5,6-dinitro-1,3-bis(phenylmethyl)-2-benzimidazolone IUPAC Name: 1,3-dibenzyl-5,6-dinitrobenzimidazol-2-one Traditional Name: 1,3-dibenzyl-5,6-dinitro-benzimidazol-2-one Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC(=C(C=C3N(C2=O)CC4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC(=C(C=C3N(C2=O)CC4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5/c26-21-22(13-15-7-3-1-4-8-15)17-11-19(24(27)28)20(25(29)30)12-18(17)23(21)14-16-9-5-2-6-10-16/h1-12H,13-14H2