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

Systemtic Name: 3-(5-methylpyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]propanamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-(5-methylpyrazol-1-yl)propanamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(5-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(5-methylpyrazol-1-yl)propanamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-(5-methylpyrazol-1-yl)propionamide Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O5/c1-11-6-8-17-19(11)9-7-15(22)18-14(10-21)16(23)12-2-4-13(5-3-12)20(24)25/h2-6,8,14,16,21,23H,7,9-10H2,1H3,(H,18,22)