N-[2,6-bis(bromanyl)-4-nitro-phenyl]-3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propanamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-nitro-phenyl]-3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propanamide Openeye Name: 3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2,6-dibromo-4-nitro-phenyl)propanamide CAS Name: 3-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-(2,6-dibromo-4-nitrophenyl)propanamide IUPAC Name: 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)propanamide Traditional Name: 3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2,6-dibromo-4-nitro-phenyl)propionamide Formula: C14H13Br2ClN4O3 MolecularWeight: 480.53902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)C)Cl

InChI

InChI=1S/C14H13Br2ClN4O3/c1-7-13(17)8(2)20(19-7)4-3-12(22)18-14-10(15)5-9(21(23)24)6-11(14)16/h5-6H,3-4H2,1-2H3,(H,18,22)