4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(1-phenylethyl)butanamide

Systemtic Name: 4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(1-phenylethyl)butanamide Openeye Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(1-phenylethyl)butanamide CAS Name: 4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(1-phenylethyl)butanamide IUPAC Name: 4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1-phenylethyl)butanamide Traditional Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(1-phenylethyl)butyramide Formula: C16H19BrN4O3 MolecularWeight: 395.25106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C16H19BrN4O3/c1-11(13-7-4-3-5-8-13)18-14(22)9-6-10-20-12(2)15(17)16(19-20)21(23)24/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,18,22)