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

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(4-chloranyl-2-nitro-phenyl)propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(4-chloro-2-nitro-phenyl)propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-(4-chloro-2-nitrophenyl)propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(4-chloro-2-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=C(C=C2)Cl)[N+](=O)[O-])C)Br

Isomeric SMILES

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

InChI

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