N-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[4-bromo-1-(2-chlorobenzyl)pyrazol-3-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C16H14BrClN6O3 MolecularWeight: 453.67776

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=NN(C=C2Br)CC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=NN(C=C2Br)CC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrClN6O3/c1-2-22-9-13(24(26)27)14(20-22)16(25)19-15-11(17)8-23(21-15)7-10-5-3-4-6-12(10)18/h3-6,8-9H,2,7H2,1H3,(H,19,21,25)