3-methoxy-4-nitro-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-methoxy-4-nitro-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1H-pyrazole-5-carboxamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C14H15N5O8 MolecularWeight: 381.2976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H15N5O8/c1-27-14-11(19(25)26)10(16-17-14)13(22)15-9(6-20)12(21)7-2-4-8(5-3-7)18(23)24/h2-5,9,12,20-21H,6H2,1H3,(H,15,22)(H,16,17)