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

Systemtic Name: N-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanamide Openeye Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetamide CAS Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]-2-(5-methyl-3,4-dinitro-1-pyrazolyl)acetamide IUPAC Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide Traditional Name: N-[4-bromo-1-(2-chlorobenzyl)pyrazol-3-yl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetamide Formula: C16H13BrClN7O5 MolecularWeight: 498.67532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=NN(C=C2Br)CC3=CC=CC=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=NN(C=C2Br)CC3=CC=CC=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13BrClN7O5/c1-9-14(24(27)28)16(25(29)30)21-23(9)8-13(26)19-15-11(17)7-22(20-15)6-10-4-2-3-5-12(10)18/h2-5,7H,6,8H2,1H3,(H,19,20,26)