1-[(4-bromanylphenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Formula: C18H14BrN5O6 MolecularWeight: 476.23766

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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=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN5O6/c1-11-16(23(26)27)8-13(9-17(11)24(28)29)20-18(25)15-6-7-22(21-15)10-30-14-4-2-12(19)3-5-14/h2-9H,10H2,1H3,(H,20,25)