N-(1H-benzimidazol-2-ylmethyl)-3-nitro-4-phenylazanyl-benzamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-3-nitro-4-phenylazanyl-benzamide Openeye Name: 4-anilino-N-(1H-benzimidazol-2-ylmethyl)-3-nitro-benzamide CAS Name: 4-anilino-N-(1H-benzimidazol-2-ylmethyl)-3-nitrobenzamide IUPAC Name: 4-anilino-N-(1H-benzimidazol-2-ylmethyl)-3-nitrobenzamide Traditional Name: 4-anilino-N-(1H-benzimidazol-2-ylmethyl)-3-nitro-benzamide Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O3/c27-21(22-13-20-24-16-8-4-5-9-17(16)25-20)14-10-11-18(19(12-14)26(28)29)23-15-6-2-1-3-7-15/h1-12,23H,13H2,(H,22,27)(H,24,25)