2-[4-(2-chloranyl-3-methanoyl-4-nitro-phenoxy)butanoyl-cyclohexyl-amino]ethyl ethanoate

Systemtic Name: 2-[4-(2-chloranyl-3-methanoyl-4-nitro-phenoxy)butanoyl-cyclohexyl-amino]ethyl ethanoate Openeye Name: 2-[4-(2-chloro-3-formyl-4-nitro-phenoxy)butanoyl-cyclohexyl-amino]ethyl acetate CAS Name: acetic acid 2-[[4-(2-chloro-3-formyl-4-nitrophenoxy)-1-oxobutyl]-cyclohexylamino]ethyl ester IUPAC Name: 2-[4-(2-chloro-3-formyl-4-nitrophenoxy)butanoyl-cyclohexylamino]ethyl acetate Traditional Name: acetic acid 2-[4-(2-chloro-3-formyl-4-nitro-phenoxy)butanoyl-cyclohexyl-amino]ethyl ester Formula: C21H27ClN2O7 MolecularWeight: 454.90128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(C1CCCCC1)C(=O)CCCOC2=C(C(=C(C=C2)[N+](=O)[O-])C=O)Cl

Isomeric SMILES

CC(=O)OCCN(C1CCCCC1)C(=O)CCCOC2=C(C(=C(C=C2)[N+](=O)[O-])C=O)Cl

InChI

InChI=1S/C21H27ClN2O7/c1-15(26)30-13-11-23(16-6-3-2-4-7-16)20(27)8-5-12-31-19-10-9-18(24(28)29)17(14-25)21(19)22/h9-10,14,16H,2-8,11-13H2,1H3