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

Systemtic Name: propan-2-yl 1-ethyl-4-[[5-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-yl]carbonylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[[5-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[[5-[(3-methyl-4-nitrophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[[5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[[5-[(3-methyl-4-nitro-phenoxy)methyl]-2-furoyl]amino]pyrazole-3-carboxylic acid isopropyl ester Formula: C22H24N4O7 MolecularWeight: 456.44856

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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(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O7/c1-5-25-11-17(20(24-25)22(28)32-13(2)3)23-21(27)19-9-7-16(33-19)12-31-15-6-8-18(26(29)30)14(4)10-15/h6-11,13H,5,12H2,1-4H3,(H,23,27)