2-[4-[2-chloranyl-3-(1-hydroxyethyl)-4-nitro-phenoxy]butanoyl-cyclohexyl-amino]ethyl ethanoate

Systemtic Name: 2-[4-[2-chloranyl-3-(1-hydroxyethyl)-4-nitro-phenoxy]butanoyl-cyclohexyl-amino]ethyl ethanoate Openeye Name: 2-[4-[2-chloro-3-(1-hydroxyethyl)-4-nitro-phenoxy]butanoyl-cyclohexyl-amino]ethyl acetate CAS Name: acetic acid 2-[[4-[2-chloro-3-(1-hydroxyethyl)-4-nitrophenoxy]-1-oxobutyl]-cyclohexylamino]ethyl ester IUPAC Name: 2-[4-[2-chloro-3-(1-hydroxyethyl)-4-nitrophenoxy]butanoyl-cyclohexylamino]ethyl acetate Traditional Name: acetic acid 2-[4-[2-chloro-3-(1-hydroxyethyl)-4-nitro-phenoxy]butanoyl-cyclohexyl-amino]ethyl ester Formula: C22H31ClN2O7 MolecularWeight: 470.94374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1Cl)OCCCC(=O)N(CCOC(=O)C)C2CCCCC2)[N+](=O)[O-])O

Isomeric SMILES

CC(C1=C(C=CC(=C1Cl)OCCCC(=O)N(CCOC(=O)C)C2CCCCC2)[N+](=O)[O-])O

InChI

InChI=1S/C22H31ClN2O7/c1-15(26)21-18(25(29)30)10-11-19(22(21)23)32-13-6-9-20(28)24(12-14-31-16(2)27)17-7-4-3-5-8-17/h10-11,15,17,26H,3-9,12-14H2,1-2H3