ethyl 2-methyl-5-[[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]carbamoyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]carbamoyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-[[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C17H20N4O7 MolecularWeight: 392.3633

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H20N4O7/c1-3-28-17(25)14-8-12(19-20(14)2)16(24)18-13(9-22)15(23)10-4-6-11(7-5-10)21(26)27/h4-8,13,15,22-23H,3,9H2,1-2H3,(H,18,24)