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

Systemtic Name: 4-[[2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoyl]amino]butyl nitrate Openeye Name: 4-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]amino]butyl nitrate CAS Name: nitric acid 4-[[2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methyl-1-oxopropyl]amino]butyl ester IUPAC Name: 4-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]amino]butyl nitrate Traditional Name: nitric acid 4-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]amino]butyl ester Formula: C21H23ClN2O6 MolecularWeight: 434.87012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O6/c1-21(2,20(26)23-13-3-4-14-29-24(27)28)30-18-11-7-16(8-12-18)19(25)15-5-9-17(22)10-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,23,26)