propan-2-yl 1-ethyl-4-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[2-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]pyrazole-3-carboxylic acid isopropyl ester Formula: C16H22N6O5 MolecularWeight: 378.38308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C(C)N2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C(C)N2C(=CC(=N2)[N+](=O)[O-])C

InChI

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