methyl 1-ethyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxylate

Systemtic Name: methyl 1-ethyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxylate Openeye Name: methyl 1-ethyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[2-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxylic acid methyl ester Formula: C14H18N6O5 MolecularWeight: 350.32992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1C(=O)OC)CC)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1C(=O)OC)CC)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O5/c1-4-11(19-7-9(6-15-19)20(23)24)13(21)16-10-8-18(5-2)17-12(10)14(22)25-3/h6-8,11H,4-5H2,1-3H3,(H,16,21)