2-[2-[3-chloranyl-5-(1-hydroxyethyl)-4-nitro-phenoxy]ethanoyl-cyclohexyl-amino]ethyl ethanoate

Systemtic Name: 2-[2-[3-chloranyl-5-(1-hydroxyethyl)-4-nitro-phenoxy]ethanoyl-cyclohexyl-amino]ethyl ethanoate Openeye Name: 2-[[2-[3-chloro-5-(1-hydroxyethyl)-4-nitro-phenoxy]acetyl]-cyclohexyl-amino]ethyl acetate CAS Name: acetic acid 2-[[2-[3-chloro-5-(1-hydroxyethyl)-4-nitrophenoxy]-1-oxoethyl]-cyclohexylamino]ethyl ester IUPAC Name: 2-[[2-[3-chloro-5-(1-hydroxyethyl)-4-nitrophenoxy]acetyl]-cyclohexylamino]ethyl acetate Traditional Name: acetic acid 2-[[2-[3-chloro-5-(1-hydroxyethyl)-4-nitro-phenoxy]acetyl]-cyclohexyl-amino]ethyl ester Formula: C20H27ClN2O7 MolecularWeight: 442.89058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1[N+](=O)[O-])Cl)OCC(=O)N(CCOC(=O)C)C2CCCCC2)O

Isomeric SMILES

CC(C1=CC(=CC(=C1[N+](=O)[O-])Cl)OCC(=O)N(CCOC(=O)C)C2CCCCC2)O

InChI

InChI=1S/C20H27ClN2O7/c1-13(24)17-10-16(11-18(21)20(17)23(27)28)30-12-19(26)22(8-9-29-14(2)25)15-6-4-3-5-7-15/h10-11,13,15,24H,3-9,12H2,1-2H3