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

Systemtic Name: N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-(3-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=CC(=N2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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