3-[[4-methyl-2-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-yl]oxy]propyl nitrate hydrochloride

Systemtic Name: 3-[[4-methyl-2-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-yl]oxy]propyl nitrate hydrochloride Openeye Name: 3-[[4-methyl-2-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-yl]oxy]propyl nitrate hydrochloride CAS Name: nitric acid 3-[[4-methyl-2-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-yl]oxy]propyl ester hydrochloride IUPAC Name: 3-[[4-methyl-2-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-yl]oxy]propyl nitrate hydrochloride Traditional Name: nitric acid 3-[[4-methyl-2-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-yl]oxy]propyl ester hydrochloride Formula: C24H31ClN2O5 MolecularWeight: 462.96634

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(OC2C1CCCC2)(C3=CC=C(C=C3)C4=CC=CC=C4)OCCCO[N+](=O)[O-].Cl

Isomeric SMILES

CN1CC(OC2C1CCCC2)(C3=CC=C(C=C3)C4=CC=CC=C4)OCCCO[N+](=O)[O-].Cl

InChI

InChI=1S/C24H30N2O5.ClH/c1-25-18-24(29-16-7-17-30-26(27)28,31-23-11-6-5-10-22(23)25)21-14-12-20(13-15-21)19-8-3-2-4-9-19;/h2-4,8-9,12-15,22-23H,5-7,10-11,16-18H2,1H3;1H