4-[1-(3,5-ditert-butylphenyl)carbonylazetidin-3-yl]oxybutyl nitrate

Systemtic Name: 4-[1-(3,5-ditert-butylphenyl)carbonylazetidin-3-yl]oxybutyl nitrate Openeye Name: 4-[1-(3,5-ditert-butylbenzoyl)azetidin-3-yl]oxybutyl nitrate CAS Name: nitric acid 4-[[1-[(3,5-ditert-butylphenyl)-oxomethyl]-3-azetidinyl]oxy]butyl ester IUPAC Name: 4-[1-(3,5-ditert-butylbenzoyl)azetidin-3-yl]oxybutyl nitrate Traditional Name: nitric acid 4-[1-(3,5-ditert-butylbenzoyl)azetidin-3-yl]oxybutyl ester Formula: C22H34N2O5 MolecularWeight: 406.51576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)N2CC(C2)OCCCCO[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)N2CC(C2)OCCCCO[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C22H34N2O5/c1-21(2,3)17-11-16(12-18(13-17)22(4,5)6)20(25)23-14-19(15-23)28-9-7-8-10-29-24(26)27/h11-13,19H,7-10,14-15H2,1-6H3