N-[2,3-bis(oxidanyl)propyl]-5-chloranyl-2,4-dinitro-benzamide

Systemtic Name: N-[2,3-bis(oxidanyl)propyl]-5-chloranyl-2,4-dinitro-benzamide Openeye Name: 5-chloro-N-(2,3-dihydroxypropyl)-2,4-dinitro-benzamide CAS Name: 5-chloro-N-(2,3-dihydroxypropyl)-2,4-dinitrobenzamide IUPAC Name: 5-chloro-N-(2,3-dihydroxypropyl)-2,4-dinitrobenzamide Traditional Name: 5-chloro-N-glyceryl-2,4-dinitro-benzamide Formula: C10H10ClN3O7 MolecularWeight: 319.6553

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(CO)O

Isomeric SMILES

C1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(CO)O

InChI

InChI=1S/C10H10ClN3O7/c11-7-1-6(10(17)12-3-5(16)4-15)8(13(18)19)2-9(7)14(20)21/h1-2,5,15-16H,3-4H2,(H,12,17)