3-(2-bromoethylamino)-N-(2-hydroxyethyl)-2,6-dinitro-benzamide

Systemtic Name: 3-(2-bromoethylamino)-N-(2-hydroxyethyl)-2,6-dinitro-benzamide Openeye Name: 3-(2-bromoethylamino)-N-(2-hydroxyethyl)-2,6-dinitro-benzamide CAS Name: 3-(2-bromoethylamino)-N-(2-hydroxyethyl)-2,6-dinitrobenzamide IUPAC Name: 3-(2-bromoethylamino)-N-(2-hydroxyethyl)-2,6-dinitrobenzamide Traditional Name: 3-(2-bromoethylamino)-N-(2-hydroxyethyl)-2,6-dinitro-benzamide Formula: C11H13BrN4O6 MolecularWeight: 377.14812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1NCCBr)[N+](=O)[O-])C(=O)NCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1NCCBr)[N+](=O)[O-])C(=O)NCCO)[N+](=O)[O-]

InChI

InChI=1S/C11H13BrN4O6/c12-3-4-13-7-1-2-8(15(19)20)9(10(7)16(21)22)11(18)14-5-6-17/h1-2,13,17H,3-6H2,(H,14,18)