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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)NC2=CC(=CC(=C2)OC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)NC2=CC(=CC(=C2)OC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-])C

InChI

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