methyl 6-[2,3-bis(oxidanyl)propylamino]-3-nitro-pyrazine-2-carboxylate

Systemtic Name: methyl 6-[2,3-bis(oxidanyl)propylamino]-3-nitro-pyrazine-2-carboxylate Openeye Name: methyl 6-(2,3-dihydroxypropylamino)-3-nitro-pyrazine-2-carboxylate CAS Name: 6-(2,3-dihydroxypropylamino)-3-nitro-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 6-(2,3-dihydroxypropylamino)-3-nitropyrazine-2-carboxylate Traditional Name: 6-(glycerylamino)-3-nitro-pyrazinic acid methyl ester Formula: C9H12N4O6 MolecularWeight: 272.21478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=CN=C1[N+](=O)[O-])NCC(CO)O

Isomeric SMILES

COC(=O)C1=NC(=CN=C1[N+](=O)[O-])NCC(CO)O

InChI

InChI=1S/C9H12N4O6/c1-19-9(16)7-8(13(17)18)11-3-6(12-7)10-2-5(15)4-14/h3,5,14-15H,2,4H2,1H3,(H,10,12)