1-[(4-bromanylphenoxy)methyl]-N-(2-methoxy-4-nitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-N-(2-methoxy-4-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-(2-methoxy-4-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-(2-methoxy-4-nitro-phenyl)pyrazole-3-carboxamide Formula: C18H15BrN4O5 MolecularWeight: 447.2395

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN4O5/c1-27-17-10-13(23(25)26)4-7-15(17)20-18(24)16-8-9-22(21-16)11-28-14-5-2-12(19)3-6-14/h2-10H,11H2,1H3,(H,20,24)