3-[(4-bromanylphenoxy)methyl]-N-(4-nitropyrazol-1-yl)benzamide

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-N-(4-nitropyrazol-1-yl)benzamide Openeye Name: 3-[(4-bromophenoxy)methyl]-N-(4-nitropyrazol-1-yl)benzamide CAS Name: 3-[(4-bromophenoxy)methyl]-N-(4-nitro-1-pyrazolyl)benzamide IUPAC Name: 3-[(4-bromophenoxy)methyl]-N-(4-nitropyrazol-1-yl)benzamide Traditional Name: 3-[(4-bromophenoxy)methyl]-N-(4-nitropyrazol-1-yl)benzamide Formula: C17H13BrN4O4 MolecularWeight: 417.21352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC=C(C=C2)Br)C(=O)NN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC=C(C=C2)Br)C(=O)NN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrN4O4/c18-14-4-6-16(7-5-14)26-11-12-2-1-3-13(8-12)17(23)20-21-10-15(9-19-21)22(24)25/h1-10H,11H2,(H,20,23)