1-(4-bromophenyl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-5-methylpyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-methyl-pyrazole-4-carboxamide Formula: C21H21BrN4O5 MolecularWeight: 489.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H21BrN4O5/c1-13-17(12-24-25(13)16-6-4-15(22)5-7-16)21(27)23-9-8-14-10-19(30-2)20(31-3)11-18(14)26(28)29/h4-7,10-12H,8-9H2,1-3H3,(H,23,27)