1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Formula: C18H13BrClN5O6 MolecularWeight: 510.68272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Cl)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Cl)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrClN5O6/c1-10-15(24(27)28)7-12(8-16(10)25(29)30)21-18(26)14-4-5-23(22-14)9-31-17-3-2-11(20)6-13(17)19/h2-8H,9H2,1H3,(H,21,26)