propan-2-yl 1-ethyl-4-[[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]carbonylamino]pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-[[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]carbonylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[[1-[(2-nitrophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxylic acid isopropyl ester Formula: C20H22N6O6 MolecularWeight: 442.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O6/c1-4-24-11-15(18(23-24)20(28)32-13(2)3)21-19(27)14-9-10-25(22-14)12-31-17-8-6-5-7-16(17)26(29)30/h5-11,13H,4,12H2,1-3H3,(H,21,27)