methyl 6-[2-(4-nitropyrazol-1-yl)ethanoylamino]hexanoate

Systemtic Name: methyl 6-[2-(4-nitropyrazol-1-yl)ethanoylamino]hexanoate Openeye Name: methyl 6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]hexanoate CAS Name: 6-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]hexanoate Traditional Name: 6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]hexanoic acid methyl ester Formula: C12H18N4O5 MolecularWeight: 298.29512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CN1C=C(C=N1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCNC(=O)CN1C=C(C=N1)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O5/c1-21-12(18)5-3-2-4-6-13-11(17)9-15-8-10(7-14-15)16(19)20/h7-8H,2-6,9H2,1H3,(H,13,17)