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

Systemtic Name: (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)propanamide Openeye Name: (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)propanamide CAS Name: (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)propanamide IUPAC Name: (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide Traditional Name: (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)propionamide Formula: C15H15BrN6O3 MolecularWeight: 407.222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NCC2=NC3=CC=CC=C3N2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1[C@H](C)C(=O)NCC2=NC3=CC=CC=C3N2)[N+](=O)[O-])Br

InChI

InChI=1S/C15H15BrN6O3/c1-8-13(16)14(22(24)25)20-21(8)9(2)15(23)17-7-12-18-10-5-3-4-6-11(10)19-12/h3-6,9H,7H2,1-2H3,(H,17,23)(H,18,19)/t9-/m1/s1