[3-(diethylamino)-2,2-dimethyl-propyl] 5-(3-nitrophenyl)furan-2-carboxylate hydrochloride

Systemtic Name: [3-(diethylamino)-2,2-dimethyl-propyl] 5-(3-nitrophenyl)furan-2-carboxylate hydrochloride Openeye Name: [3-(diethylamino)-2,2-dimethyl-propyl] 5-(3-nitrophenyl)furan-2-carboxylate hydrochloride CAS Name: 5-(3-nitrophenyl)-2-furancarboxylic acid [3-(diethylamino)-2,2-dimethylpropyl] ester hydrochloride IUPAC Name: [3-(diethylamino)-2,2-dimethylpropyl] 5-(3-nitrophenyl)furan-2-carboxylate hydrochloride Traditional Name: 5-(3-nitrophenyl)furan-2-carboxylic acid [3-(diethylamino)-2,2-dimethyl-propyl] ester hydrochloride Formula: C20H27ClN2O5 MolecularWeight: 410.89178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5.ClH/c1-5-21(6-2)13-20(3,4)14-26-19(23)18-11-10-17(27-18)15-8-7-9-16(12-15)22(24)25;/h7-12H,5-6,13-14H2,1-4H3;1H