3-(4-bromanylpyrazol-1-yl)-2-methyl-N-(4-methyl-3,5-dinitro-phenyl)propanamide

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-2-methyl-N-(4-methyl-3,5-dinitro-phenyl)propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-3,5-dinitro-phenyl)propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-2-methyl-N-(4-methyl-3,5-dinitrophenyl)propanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-3,5-dinitrophenyl)propanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-3,5-dinitro-phenyl)propionamide Formula: C14H14BrN5O5 MolecularWeight: 412.19546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C(C)CN2C=C(C=N2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C(C)CN2C=C(C=N2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H14BrN5O5/c1-8(6-18-7-10(15)5-16-18)14(21)17-11-3-12(19(22)23)9(2)13(4-11)20(24)25/h3-5,7-8H,6H2,1-2H3,(H,17,21)