N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C17H17ClN6O3 MolecularWeight: 388.80828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN6O3/c1-11-16(24(26)27)12(2)23(20-11)10-15(25)19-17-14(18)9-22(21-17)8-13-6-4-3-5-7-13/h3-7,9H,8,10H2,1-2H3,(H,19,21,25)