N-ethylethanamine; 2-ethyl-4-iodanyl-benzamide

Systemtic Name: N-ethylethanamine; 2-ethyl-4-iodanyl-benzamide Openeye Name: N-ethylethanamine; 2-ethyl-4-iodo-benzamide CAS Name: N-ethylethanamine; 2-ethyl-4-iodobenzamide IUPAC Name: N-ethylethanamine; 2-ethyl-4-iodobenzamide Traditional Name: diethylamine; 2-ethyl-4-iodo-benzamide Formula: C13H21IN2O MolecularWeight: 348.22311

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)I)C(=O)N.CCNCC

Isomeric SMILES

CCC1=C(C=CC(=C1)I)C(=O)N.CCNCC

InChI

InChI=1S/C9H10INO.C4H11N/c1-2-6-5-7(10)3-4-8(6)9(11)12;1-3-5-4-2/h3-5H,2H2,1H3,(H2,11,12);5H,3-4H2,1-2H3