2-[tert-butyl(methyl)amino]ethyl 3-nitrobenzoate hydrochloride

Systemtic Name: 2-[tert-butyl(methyl)amino]ethyl 3-nitrobenzoate hydrochloride Openeye Name: 2-[tert-butyl(methyl)amino]ethyl 3-nitrobenzoate hydrochloride CAS Name: 3-nitrobenzoic acid 2-[tert-butyl(methyl)amino]ethyl ester hydrochloride IUPAC Name: 2-[tert-butyl(methyl)amino]ethyl 3-nitrobenzoate hydrochloride Traditional Name: 3-nitrobenzoic acid 2-[tert-butyl(methyl)amino]ethyl ester hydrochloride Formula: C14H21ClN2O4 MolecularWeight: 316.78054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C)CCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-].Cl

Isomeric SMILES

CC(C)(C)N(C)CCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H20N2O4.ClH/c1-14(2,3)15(4)8-9-20-13(17)11-6-5-7-12(10-11)16(18)19;/h5-7,10H,8-9H2,1-4H3;1H