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

Systemtic Name: N-[2,6-bis(bromanyl)-4-nitro-phenyl]-3-(4-bromanyl-5-methyl-pyrazol-1-yl)propanamide Openeye Name: 3-(4-bromo-5-methyl-pyrazol-1-yl)-N-(2,6-dibromo-4-nitro-phenyl)propanamide CAS Name: 3-(4-bromo-5-methyl-1-pyrazolyl)-N-(2,6-dibromo-4-nitrophenyl)propanamide IUPAC Name: 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)propanamide Traditional Name: 3-(4-bromo-5-methyl-pyrazol-1-yl)-N-(2,6-dibromo-4-nitro-phenyl)propionamide Formula: C13H11Br3N4O3 MolecularWeight: 510.96344

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C13H11Br3N4O3/c1-7-11(16)6-17-19(7)3-2-12(21)18-13-9(14)4-8(20(22)23)5-10(13)15/h4-6H,2-3H2,1H3,(H,18,21)