2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[4-(cyanomethyl)phenyl]propanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[4-(cyanomethyl)phenyl]propanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[4-(cyanomethyl)phenyl]propanamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[4-(cyanomethyl)phenyl]propanamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[4-(cyanomethyl)phenyl]propanamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[4-(cyanomethyl)phenyl]propionamide Formula: C15H14BrN5O3 MolecularWeight: 392.20736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=CC=C(C=C2)CC#N)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NC2=CC=C(C=C2)CC#N)[N+](=O)[O-])Br

InChI

InChI=1S/C15H14BrN5O3/c1-9-13(16)14(21(23)24)19-20(9)10(2)15(22)18-12-5-3-11(4-6-12)7-8-17/h3-6,10H,7H2,1-2H3,(H,18,22)