2-(4-bromanyl-5-methyl-pyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]propanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-pyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]propanamide Openeye Name: 2-(4-bromo-5-methyl-pyrazol-1-yl)-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]propanamide CAS Name: 2-(4-bromo-5-methyl-1-pyrazolyl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]propanamide IUPAC Name: 2-(4-bromo-5-methylpyrazol-1-yl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]propanamide Traditional Name: 2-(4-bromo-5-methyl-pyrazol-1-yl)-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]propionamide Formula: C16H19BrN4O5 MolecularWeight: 427.24986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C(C)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)Br

Isomeric SMILES

CC1=C(C=NN1C(C)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)Br

InChI

InChI=1S/C16H19BrN4O5/c1-9-13(17)7-18-20(9)10(2)16(24)19-14(8-22)15(23)11-3-5-12(6-4-11)21(25)26/h3-7,10,14-15,22-23H,8H2,1-2H3,(H,19,24)