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

Systemtic Name: methyl 4-[[5-[(2-chloranyl-4-nitro-phenoxy)methyl]furan-2-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[[5-[(2-chloro-4-nitro-phenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[5-[(2-chloro-4-nitrophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[5-[(2-chloro-4-nitro-phenoxy)methyl]-2-furoyl]amino]-1-ethyl-pyrazole-3-carboxylic acid methyl ester Formula: C19H17ClN4O7 MolecularWeight: 448.81388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O7/c1-3-23-9-14(17(22-23)19(26)29-2)21-18(25)16-7-5-12(31-16)10-30-15-6-4-11(24(27)28)8-13(15)20/h4-9H,3,10H2,1-2H3,(H,21,25)