N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetamide Formula: C14H13BrN6O3 MolecularWeight: 393.19542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCC2=NC3=CC=CC=C3N2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCC2=NC3=CC=CC=C3N2)[N+](=O)[O-])Br

InChI

InChI=1S/C14H13BrN6O3/c1-8-13(15)14(21(23)24)19-20(8)7-12(22)16-6-11-17-9-4-2-3-5-10(9)18-11/h2-5H,6-7H2,1H3,(H,16,22)(H,17,18)