methyl 2-[2-(4-nitropyrazol-1-yl)ethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[2-(4-nitropyrazol-1-yl)ethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoate CAS Name: 3-hydroxy-2-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propionic acid methyl ester Formula: C9H12N4O6 MolecularWeight: 272.21478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N4O6/c1-19-9(16)7(5-14)11-8(15)4-12-3-6(2-10-12)13(17)18/h2-3,7,14H,4-5H2,1H3,(H,11,15)