4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide

Systemtic Name: 4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide Openeye Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide CAS Name: 4-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-(2,4,6-trimethylphenyl)benzamide IUPAC Name: 4-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide Traditional Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-mesityl-benzamide Formula: C20H19BrN4O3 MolecularWeight: 443.29386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O3/c1-12-8-13(2)18(14(3)9-12)22-20(26)16-6-4-15(5-7-16)10-24-11-17(21)19(23-24)25(27)28/h4-9,11H,10H2,1-3H3,(H,22,26)