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

Systemtic Name: propan-2-yl 1-ethyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C16H22N6O5 MolecularWeight: 378.38308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O5/c1-5-13(21-8-11(7-17-21)22(25)26)15(23)18-12-9-20(6-2)19-14(12)16(24)27-10(3)4/h7-10,13H,5-6H2,1-4H3,(H,18,23)