[2-(diethylaminomethyl)-2-ethyl-butyl] 5-(4-nitrophenyl)furan-2-carboxylate hydrochloride

Systemtic Name: [2-(diethylaminomethyl)-2-ethyl-butyl] 5-(4-nitrophenyl)furan-2-carboxylate hydrochloride Openeye Name: [2-(diethylaminomethyl)-2-ethyl-butyl] 5-(4-nitrophenyl)furan-2-carboxylate hydrochloride CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [2-(diethylaminomethyl)-2-ethylbutyl] ester hydrochloride IUPAC Name: [2-(diethylaminomethyl)-2-ethylbutyl] 5-(4-nitrophenyl)furan-2-carboxylate hydrochloride Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [2-(diethylaminomethyl)-2-ethyl-butyl] ester hydrochloride Formula: C22H31ClN2O5 MolecularWeight: 438.94494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5.ClH/c1-5-22(6-2,15-23(7-3)8-4)16-28-21(25)20-14-13-19(29-20)17-9-11-18(12-10-17)24(26)27;/h9-14H,5-8,15-16H2,1-4H3;1H