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

Systemtic Name: N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-2-(4-nitropyrazol-1-yl)ethanamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide Formula: C14H15N5O7 MolecularWeight: 365.2982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)NC(=O)CN2C=C(C=N2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)NC(=O)CN2C=C(C=N2)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O7/c20-8-12(14(22)9-1-3-10(4-2-9)18(23)24)16-13(21)7-17-6-11(5-15-17)19(25)26/h1-6,12,14,20,22H,7-8H2,(H,16,21)