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

Systemtic Name: propan-2-yl 1-ethyl-4-[(3-nitro-1H-pyrazol-5-yl)carbonylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[(3-nitro-1H-pyrazole-5-carbonyl)amino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[(3-nitro-1H-pyrazole-5-carbonyl)amino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[(3-nitro-1H-pyrazole-5-carbonyl)amino]pyrazole-3-carboxylic acid isopropyl ester Formula: C13H16N6O5 MolecularWeight: 336.30334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC(=NN2)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC(=NN2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O5/c1-4-18-6-9(11(17-18)13(21)24-7(2)3)14-12(20)8-5-10(16-15-8)19(22)23/h5-7H,4H2,1-3H3,(H,14,20)(H,15,16)