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

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2-(5-methyl-3,4-dinitro-1-pyrazolyl)acetamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetamide Formula: C16H14ClN7O5 MolecularWeight: 419.77926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN7O5/c1-10-14(23(26)27)16(24(28)29)20-22(10)9-13(25)18-15-12(17)8-21(19-15)7-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H,18,19,25)