2-(diethylaminomethyl)-2-ethyl-butan-1-ol; 5-(4-nitrophenyl)furan-2-carboxylic acid; hydrochloride

Systemtic Name: 2-(diethylaminomethyl)-2-ethyl-butan-1-ol; 5-(4-nitrophenyl)furan-2-carboxylic acid; hydrochloride Openeye Name: 2-(diethylaminomethyl)-2-ethyl-butan-1-ol; 5-(4-nitrophenyl)furan-2-carboxylic acid; hydrochloride CAS Name: 2-(diethylaminomethyl)-2-ethyl-1-butanol; 5-(4-nitrophenyl)-2-furancarboxylic acid; hydrochloride IUPAC Name: 2-(diethylaminomethyl)-2-ethylbutan-1-ol; 5-(4-nitrophenyl)furan-2-carboxylic acid; hydrochloride Traditional Name: 2-(diethylaminomethyl)-2-ethyl-butan-1-ol; 5-(4-nitrophenyl)-2-furoic acid; hydrochloride Formula: C22H33ClN2O6 MolecularWeight: 456.96022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CN(CC)CC)CO.C1=CC(=CC=C1C2=CC=C(O2)C(=O)O)[N+](=O)[O-].Cl

Isomeric SMILES

CCC(CC)(CN(CC)CC)CO.C1=CC(=CC=C1C2=CC=C(O2)C(=O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C11H7NO5.C11H25NO.ClH/c13-11(14)10-6-5-9(17-10)7-1-3-8(4-2-7)12(15)16;1-5-11(6-2,10-13)9-12(7-3)8-4;/h1-6H,(H,13,14);13H,5-10H2,1-4H3;1H