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

Systemtic Name: 4-bromanyl-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-1H-pyrazole-5-carboxamide Formula: C18H15BrN4O4 MolecularWeight: 431.2401

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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=C(C=NN3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3)Br

InChI

InChI=1S/C18H15BrN4O4/c1-10-3-4-11(2)16(5-10)27-14-7-12(6-13(8-14)23(25)26)21-18(24)17-15(19)9-20-22-17/h3-9H,1-2H3,(H,20,22)(H,21,24)