8-[[2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoyl]amino]octyl nitrate

Systemtic Name: 8-[[2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoyl]amino]octyl nitrate Openeye Name: 8-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]amino]octyl nitrate CAS Name: nitric acid 8-[[2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methyl-1-oxopropyl]amino]octyl ester IUPAC Name: 8-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]amino]octyl nitrate Traditional Name: nitric acid 8-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]amino]octyl ester Formula: C25H31ClN2O6 MolecularWeight: 490.97644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCCCCCCCCO[N+](=O)[O-])OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C(=O)NCCCCCCCCO[N+](=O)[O-])OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C25H31ClN2O6/c1-25(2,24(30)27-17-7-5-3-4-6-8-18-33-28(31)32)34-22-15-11-20(12-16-22)23(29)19-9-13-21(26)14-10-19/h9-16H,3-8,17-18H2,1-2H3,(H,27,30)