methyl 2-[3-nitro-5-(2-oxidanylidenepyrrolidin-1-yl)-1,2,4-triazol-1-yl]ethanoate

Systemtic Name: methyl 2-[3-nitro-5-(2-oxidanylidenepyrrolidin-1-yl)-1,2,4-triazol-1-yl]ethanoate Openeye Name: methyl 2-[3-nitro-5-(2-oxopyrrolidin-1-yl)-1,2,4-triazol-1-yl]acetate CAS Name: 2-[3-nitro-5-(2-oxo-1-pyrrolidinyl)-1,2,4-triazol-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-nitro-5-(2-oxopyrrolidin-1-yl)-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[5-(2-ketopyrrolidino)-3-nitro-1,2,4-triazol-1-yl]acetic acid methyl ester Formula: C9H11N5O5 MolecularWeight: 269.21414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NC(=N1)[N+](=O)[O-])N2CCCC2=O

Isomeric SMILES

COC(=O)CN1C(=NC(=N1)[N+](=O)[O-])N2CCCC2=O

InChI

InChI=1S/C9H11N5O5/c1-19-7(16)5-13-9(10-8(11-13)14(17)18)12-4-2-3-6(12)15/h2-5H2,1H3