3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-chloranyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-chloranyl-5-nitro-phenyl)propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-(2-chloro-5-nitrophenyl)propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C14H14BrClN4O3 MolecularWeight: 401.64296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C)Br

InChI

InChI=1S/C14H14BrClN4O3/c1-8-14(15)9(2)19(18-8)6-5-13(21)17-12-7-10(20(22)23)3-4-11(12)16/h3-4,7H,5-6H2,1-2H3,(H,17,21)