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

Systemtic Name: 3-(4-bromanyl-5-methyl-pyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]propanamide Openeye Name: 3-(4-bromo-5-methyl-pyrazol-1-yl)-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]propanamide CAS Name: 3-(4-bromo-5-methyl-1-pyrazolyl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]propanamide IUPAC Name: 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]propanamide Traditional Name: 3-(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=NN1CCC(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)Br

Isomeric SMILES

CC1=C(C=NN1CCC(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)Br

InChI

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