N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-(phenylmethyl)benzimidazol-2-amine

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-(phenylmethyl)benzimidazol-2-amine Openeye Name: 1-benzyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzimidazol-2-amine CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-(phenylmethyl)-2-benzimidazolamine IUPAC Name: 1-benzyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzimidazol-2-amine Traditional Name: (1-benzylbenzimidazol-2-yl)-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C22H17N5O4 MolecularWeight: 415.40148

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC3=NC4=CC=CC=C4N3CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC3=NC4=CC=CC=C4N3CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O4/c28-27(29)19-11-21-20(30-14-31-21)10-16(19)12-23-25-22-24-17-8-4-5-9-18(17)26(22)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,24,25)/b23-12+