[3-(diethylamino)-2,2-dimethyl-propyl] 5-(4-chloranyl-2-nitro-phenyl)furan-2-carboxylate

Systemtic Name: [3-(diethylamino)-2,2-dimethyl-propyl] 5-(4-chloranyl-2-nitro-phenyl)furan-2-carboxylate Openeye Name: [3-(diethylamino)-2,2-dimethyl-propyl] 5-(4-chloro-2-nitro-phenyl)furan-2-carboxylate CAS Name: 5-(4-chloro-2-nitrophenyl)-2-furancarboxylic acid [3-(diethylamino)-2,2-dimethylpropyl] ester IUPAC Name: [3-(diethylamino)-2,2-dimethylpropyl] 5-(4-chloro-2-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-chloro-2-nitro-phenyl)furan-2-carboxylic acid [3-(diethylamino)-2,2-dimethyl-propyl] ester Formula: C20H25ClN2O5 MolecularWeight: 408.8759

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C)(C)COC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC(C)(C)COC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H25ClN2O5/c1-5-22(6-2)12-20(3,4)13-27-19(24)18-10-9-17(28-18)15-8-7-14(21)11-16(15)23(25)26/h7-11H,5-6,12-13H2,1-4H3