1-(benzimidazol-1-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone

Systemtic Name: 1-(benzimidazol-1-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone Openeye Name: 1-(benzimidazol-1-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone CAS Name: 1-(1-benzimidazolyl)-2-(3-methyl-4-nitrophenoxy)ethanone IUPAC Name: 1-(benzimidazol-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone Traditional Name: 1-(benzimidazol-1-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2C=NC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2C=NC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4/c1-11-8-12(6-7-14(11)19(21)22)23-9-16(20)18-10-17-13-4-2-3-5-15(13)18/h2-8,10H,9H2,1H3