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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)Br)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(CN1C=C(C=N1)Br)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H19BrN4O5/c1-10(7-20-8-12(17)6-18-20)16(24)19-14(9-22)15(23)11-2-4-13(5-3-11)21(25)26/h2-6,8,10,14-15,22-23H,7,9H2,1H3,(H,19,24)