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

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-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]-2-(5-methyl-3-nitro-pyrazol-1-yl)propanamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(5-methyl-3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)propionamide Formula: C16H19N5O7 MolecularWeight: 393.35136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O7/c1-9-7-14(21(27)28)18-19(9)10(2)16(24)17-13(8-22)15(23)11-3-5-12(6-4-11)20(25)26/h3-7,10,13,15,22-23H,8H2,1-2H3,(H,17,24)