[4-[1-[[2-[2,5-bis(chloranyl)phenoxy]-3-oxidanyl-pentan-3-yl]amino]ethylamino]-4-oxidanylidene-butyl] nitrate

Systemtic Name: [4-[1-[[2-[2,5-bis(chloranyl)phenoxy]-3-oxidanyl-pentan-3-yl]amino]ethylamino]-4-oxidanylidene-butyl] nitrate Openeye Name: [4-[1-[[2-(2,5-dichlorophenoxy)-1-ethyl-1-hydroxy-propyl]amino]ethylamino]-4-oxo-butyl] nitrate CAS Name: nitric acid [4-[1-[[2-(2,5-dichlorophenoxy)-3-hydroxypentan-3-yl]amino]ethylamino]-4-oxobutyl] ester IUPAC Name: [4-[1-[[2-(2,5-dichlorophenoxy)-3-hydroxypentan-3-yl]amino]ethylamino]-4-oxobutyl] nitrate Traditional Name: nitric acid [4-[1-[[2-(2,5-dichlorophenoxy)-1-ethyl-1-hydroxy-propyl]amino]ethylamino]-4-keto-butyl] ester Formula: C17H25Cl2N3O6 MolecularWeight: 438.3029

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)OC1=C(C=CC(=C1)Cl)Cl)(NC(C)NC(=O)CCCO[N+](=O)[O-])O

Isomeric SMILES

CCC(C(C)OC1=C(C=CC(=C1)Cl)Cl)(NC(C)NC(=O)CCCO[N+](=O)[O-])O

InChI

InChI=1S/C17H25Cl2N3O6/c1-4-17(24,11(2)28-15-10-13(18)7-8-14(15)19)21-12(3)20-16(23)6-5-9-27-22(25)26/h7-8,10-12,21,24H,4-6,9H2,1-3H3,(H,20,23)