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

Systemtic Name: 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]-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-(4-nitropyrazol-1-yl)propionamide Formula: C15H17N5O7 MolecularWeight: 379.32478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O7/c21-9-13(15(23)10-1-3-11(4-2-10)19(24)25)17-14(22)5-6-18-8-12(7-16-18)20(26)27/h1-4,7-8,13,15,21,23H,5-6,9H2,(H,17,22)