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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O7/c1-15(25)20-12-11-19(14-21(20)24(28)29)30-13-7-10-22(27)23(16(2)31-17(3)26)18-8-5-4-6-9-18/h11-12,14-16,18,25H,4-10,13H2,1-3H3