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

Systemtic Name: 1-ethyl-4-nitro-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-3-carboxamide Openeye Name: 1-ethyl-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-4-nitro-pyrazole-3-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: 1-ethyl-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-4-nitro-pyrazole-3-carboxamide Formula: C15H17N5O7 MolecularWeight: 379.32478

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O7/c1-2-18-7-12(20(26)27)13(17-18)15(23)16-11(8-21)14(22)9-3-5-10(6-4-9)19(24)25/h3-7,11,14,21-22H,2,8H2,1H3,(H,16,23)