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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O7/c1-10(7-19-8-13(6-17-19)21(27)28)16(24)18-14(9-22)15(23)11-2-4-12(5-3-11)20(25)26/h2-6,8,10,14-15,22-23H,7,9H2,1H3,(H,18,24)