2-aminocarbonyl-3,4,5,6-tetrakis(bromanyl)benzoic acid; 2-pyridin-2-ylethanamine

Systemtic Name: 2-aminocarbonyl-3,4,5,6-tetrakis(bromanyl)benzoic acid; 2-pyridin-2-ylethanamine Openeye Name: 2-(2-pyridyl)ethanamine; 2,3,4,5-tetrabromo-6-carbamoyl-benzoic acid CAS Name: 2-(2-pyridinyl)ethanamine; 2,3,4,5-tetrabromo-6-carbamoylbenzoic acid IUPAC Name: 2-pyridin-2-ylethanamine; 2,3,4,5-tetrabromo-6-carbamoylbenzoic acid Traditional Name: 2-(2-pyridyl)ethylamine; 2,3,4,5-tetrabromo-6-carbamoyl-benzoic acid Formula: C15H13Br4N3O3 MolecularWeight: 602.89802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCN.C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O)C(=O)N

Isomeric SMILES

C1=CC=NC(=C1)CCN.C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O)C(=O)N

InChI

InChI=1S/C8H3Br4NO3.C7H10N2/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;8-5-4-7-3-1-2-6-9-7/h(H2,13,14)(H,15,16);1-3,6H,4-5,8H2