2-diethylaminoethyl 2-bromanylbenzoate; ethanedioic acid

Systemtic Name: 2-diethylaminoethyl 2-bromanylbenzoate; ethanedioic acid Openeye Name: 2-diethylaminoethyl 2-bromobenzoate; oxalic acid CAS Name: 2-bromobenzoic acid 2-diethylaminoethyl ester; oxalic acid IUPAC Name: 2-diethylaminoethyl 2-bromobenzoate; oxalic acid Traditional Name: 2-bromobenzoic acid 2-diethylaminoethyl ester; oxalic acid Formula: C15H20BrNO6 MolecularWeight: 390.2264

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=CC=C1Br.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=CC=C1Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H18BrNO2.C2H2O4/c1-3-15(4-2)9-10-17-13(16)11-7-5-6-8-12(11)14;3-1(4)2(5)6/h5-8H,3-4,9-10H2,1-2H3;(H,3,4)(H,5,6)