N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C15H17BrN4O3 MolecularWeight: 381.22448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC(C)C2=CC=CC=C2Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N[C@@H](C)C2=CC=CC=C2Br)C)[N+](=O)[O-]

InChI

InChI=1S/C15H17BrN4O3/c1-9(12-6-4-5-7-13(12)16)17-14(21)8-19-11(3)15(20(22)23)10(2)18-19/h4-7,9H,8H2,1-3H3,(H,17,21)/t9-/m0/s1