1-methyl-4-nitro-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-3-carboxamide

Systemtic Name: 1-methyl-4-nitro-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-3-carboxamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C14H15N5O7 MolecularWeight: 365.2982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O7/c1-17-6-11(19(25)26)12(16-17)14(22)15-10(7-20)13(21)8-2-4-9(5-3-8)18(23)24/h2-6,10,13,20-21H,7H2,1H3,(H,15,22)