3-[[2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoyl]amino]propyl nitrate

Systemtic Name: 3-[[2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoyl]amino]propyl nitrate Openeye Name: 3-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]amino]propyl nitrate CAS Name: nitric acid 3-[[2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methyl-1-oxopropyl]amino]propyl ester IUPAC Name: 3-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]amino]propyl nitrate Traditional Name: nitric acid 3-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]amino]propyl ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O6/c1-20(2,19(25)22-12-3-13-28-23(26)27)29-17-10-6-15(7-11-17)18(24)14-4-8-16(21)9-5-14/h4-11H,3,12-13H2,1-2H3,(H,22,25)