N-[6-[2,3-bis(oxidanyl)propylamino]-5-chloranyl-3-nitro-pyrazin-2-yl]ethanamide

Systemtic Name: N-[6-[2,3-bis(oxidanyl)propylamino]-5-chloranyl-3-nitro-pyrazin-2-yl]ethanamide Openeye Name: N-[5-chloro-6-(2,3-dihydroxypropylamino)-3-nitro-pyrazin-2-yl]acetamide CAS Name: N-[5-chloro-6-(2,3-dihydroxypropylamino)-3-nitro-2-pyrazinyl]acetamide IUPAC Name: N-[5-chloro-6-(2,3-dihydroxypropylamino)-3-nitropyrazin-2-yl]acetamide Traditional Name: N-[5-chloro-6-(glycerylamino)-3-nitro-pyrazin-2-yl]acetamide Formula: C9H12ClN5O5 MolecularWeight: 305.67508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N=C(C(=N1)NCC(CO)O)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(N=C(C(=N1)NCC(CO)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C9H12ClN5O5/c1-4(17)12-8-9(15(19)20)13-6(10)7(14-8)11-2-5(18)3-16/h5,16,18H,2-3H2,1H3,(H2,11,12,14,17)