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

Systemtic Name: 2-[cyclohexyl-[4-[3-(1-hydroxyethyl)-4-nitro-phenoxy]butanoyl]amino]ethyl ethanoate Openeye Name: 2-[cyclohexyl-[4-[3-(1-hydroxyethyl)-4-nitro-phenoxy]butanoyl]amino]ethyl acetate CAS Name: acetic acid 2-[cyclohexyl-[4-[3-(1-hydroxyethyl)-4-nitrophenoxy]-1-oxobutyl]amino]ethyl ester IUPAC Name: 2-[cyclohexyl-[4-[3-(1-hydroxyethyl)-4-nitrophenoxy]butanoyl]amino]ethyl acetate Traditional Name: acetic acid 2-[cyclohexyl-[4-[3-(1-hydroxyethyl)-4-nitro-phenoxy]butanoyl]amino]ethyl ester Formula: C22H32N2O7 MolecularWeight: 436.49868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O7/c1-16(25)20-15-19(10-11-21(20)24(28)29)31-13-6-9-22(27)23(12-14-30-17(2)26)18-7-4-3-5-8-18/h10-11,15-16,18,25H,3-9,12-14H2,1-2H3