4-bromanyl-N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C19H16BrClN4O4 MolecularWeight: 479.71174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C(=C3Br)C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C(=C3Br)C)C)Cl

InChI

InChI=1S/C19H16BrClN4O4/c1-10-6-14(4-5-16(10)21)29-15-8-12(7-13(9-15)25(27)28)22-19(26)18-17(20)11(2)24(3)23-18/h4-9H,1-3H3,(H,22,26)