4-bromanyl-N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C15H12BrClN6O3 MolecularWeight: 439.65118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C15H12BrClN6O3/c1-8-6-11(21-22(8)7-9-2-4-10(17)5-3-9)18-15(24)13-12(16)14(20-19-13)23(25)26/h2-6H,7H2,1H3,(H,19,20)(H,18,21,24)