propan-2-yl 1-ethyl-4-[[5-[(2-nitrophenoxy)methyl]furan-2-yl]carbonylamino]pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-[[5-[(2-nitrophenoxy)methyl]furan-2-yl]carbonylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[[5-[(2-nitrophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[[5-[(2-nitrophenoxy)methyl]-2-furoyl]amino]pyrazole-3-carboxylic acid isopropyl ester Formula: C21H22N4O7 MolecularWeight: 442.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7/c1-4-24-11-15(19(23-24)21(27)31-13(2)3)22-20(26)18-10-9-14(32-18)12-30-17-8-6-5-7-16(17)25(28)29/h5-11,13H,4,12H2,1-3H3,(H,22,26)