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

Systemtic Name: ethyl 1-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[3-(3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-4-carboxylate Traditional Name: 1-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-4-carboxylic acid ethyl ester Formula: C13H16N6O5 MolecularWeight: 336.30334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)NC(=O)CCN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NC(=O)CCN2C=CC(=N2)[N+](=O)[O-]

InChI

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