4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(3,4-dimethylphenyl)benzamide

Systemtic Name: 4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(3,4-dimethylphenyl)benzamide Openeye Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(3,4-dimethylphenyl)benzamide CAS Name: 4-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-(3,4-dimethylphenyl)benzamide IUPAC Name: 4-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(3,4-dimethylphenyl)benzamide Traditional Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(3,4-dimethylphenyl)benzamide Formula: C19H17BrN4O3 MolecularWeight: 429.26728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN4O3/c1-12-3-8-16(9-13(12)2)21-19(25)15-6-4-14(5-7-15)10-23-11-17(20)18(22-23)24(26)27/h3-9,11H,10H2,1-2H3,(H,21,25)