N-ethylethanamine; 3-ethyl-2-iodanyl-5-nitro-benzamide

Systemtic Name: N-ethylethanamine; 3-ethyl-2-iodanyl-5-nitro-benzamide Openeye Name: N-ethylethanamine; 3-ethyl-2-iodo-5-nitro-benzamide CAS Name: N-ethylethanamine; 3-ethyl-2-iodo-5-nitrobenzamide IUPAC Name: N-ethylethanamine; 3-ethyl-2-iodo-5-nitrobenzamide Traditional Name: diethylamine; 3-ethyl-2-iodo-5-nitro-benzamide Formula: C13H20IN3O3 MolecularWeight: 393.22067

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)N)I.CCNCC

Isomeric SMILES

CCC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)N)I.CCNCC

InChI

InChI=1S/C9H9IN2O3.C4H11N/c1-2-5-3-6(12(14)15)4-7(8(5)10)9(11)13;1-3-5-4-2/h3-4H,2H2,1H3,(H2,11,13);5H,3-4H2,1-2H3