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

Systemtic Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanamide Openeye Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetamide CAS Name: N-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-2-(5-methyl-3,4-dinitro-1-pyrazolyl)acetamide IUPAC Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide Traditional Name: N-[1-(2-chlorobenzyl)pyrazol-4-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=CN(N=C2)CC3=CC=CC=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CN(N=C2)CC3=CC=CC=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

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