[1-(4-bromanylnaphthalen-1-yl)-3-nitrooxy-propyl] nitrate

Systemtic Name: [1-(4-bromanylnaphthalen-1-yl)-3-nitrooxy-propyl] nitrate Openeye Name: [1-(4-bromo-1-naphthyl)-3-nitrooxy-propyl] nitrate CAS Name: nitric acid [1-(4-bromo-1-naphthalenyl)-3-nitrooxypropyl] ester IUPAC Name: [1-(4-bromonaphthalen-1-yl)-3-nitrooxypropyl] nitrate Traditional Name: nitric acid [1-(4-bromo-1-naphthyl)-3-nitrooxy-propyl] ester Formula: C13H11BrN2O6 MolecularWeight: 371.14024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2Br)C(CCO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2Br)C(CCO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C13H11BrN2O6/c14-12-6-5-11(9-3-1-2-4-10(9)12)13(22-16(19)20)7-8-21-15(17)18/h1-6,13H,7-8H2