4-[(4-bromanylpyrazol-1-yl)methyl]-N-(2-methyl-4-nitro-phenyl)benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-(2-methyl-4-nitro-phenyl)benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methyl-4-nitro-phenyl)benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-(2-methyl-4-nitrophenyl)benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methyl-4-nitrophenyl)benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methyl-4-nitro-phenyl)benzamide Formula: C18H15BrN4O3 MolecularWeight: 415.2407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C18H15BrN4O3/c1-12-8-16(23(25)26)6-7-17(12)21-18(24)14-4-2-13(3-5-14)10-22-11-15(19)9-20-22/h2-9,11H,10H2,1H3,(H,21,24)