N-[3-[2,4-bis(chloranyl)phenoxy]-5-nitro-phenyl]-4-bromanyl-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-[2,4-bis(chloranyl)phenoxy]-5-nitro-phenyl]-4-bromanyl-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[3-(2,4-dichlorophenoxy)-5-nitro-phenyl]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[3-(2,4-dichlorophenoxy)-5-nitro-phenyl]-1-ethyl-pyrazole-3-carboxamide Formula: C18H13BrCl2N4O4 MolecularWeight: 500.13022

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)OC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-])Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)OC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C18H13BrCl2N4O4/c1-2-24-9-14(19)17(23-24)18(26)22-11-6-12(25(27)28)8-13(7-11)29-16-4-3-10(20)5-15(16)21/h3-9H,2H2,1H3,(H,22,26)