4-bromanyl-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-1-methylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-1-methyl-pyrazole-3-carboxamide Formula: C19H17BrN4O4 MolecularWeight: 445.26668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN4O4/c1-11-4-5-12(2)17(6-11)28-15-8-13(7-14(9-15)24(26)27)21-19(25)18-16(20)10-23(3)22-18/h4-10H,1-3H3,(H,21,25)