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

Systemtic Name: methyl 1-ethyl-4-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxylate Openeye Name: methyl 1-ethyl-4-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[3-(3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-4-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxylic acid methyl ester Formula: C13H16N6O5 MolecularWeight: 336.30334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O5/c1-3-17-8-9(12(16-17)13(21)24-2)14-11(20)5-7-18-6-4-10(15-18)19(22)23/h4,6,8H,3,5,7H2,1-2H3,(H,14,20)