methyl 1-ethyl-4-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]pyrazole-3-carboxylate

Systemtic Name: methyl 1-ethyl-4-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]pyrazole-3-carboxylate Openeye Name: methyl 1-ethyl-4-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[3-(5-methyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-4-[3-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]pyrazole-3-carboxylic acid methyl ester Formula: C14H18N6O5 MolecularWeight: 350.32992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC)NC(=O)CCN2C(=C(C=N2)[N+](=O)[O-])C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC)NC(=O)CCN2C(=C(C=N2)[N+](=O)[O-])C

InChI

InChI=1S/C14H18N6O5/c1-4-18-8-10(13(17-18)14(22)25-3)16-12(21)5-6-19-9(2)11(7-15-19)20(23)24/h7-8H,4-6H2,1-3H3,(H,16,21)