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

Systemtic Name: 2-[cyclohexyl-[4-(3-ethanoyl-4-nitro-phenoxy)butanoyl]amino]ethyl ethanoate Openeye Name: 2-[4-(3-acetyl-4-nitro-phenoxy)butanoyl-cyclohexyl-amino]ethyl acetate CAS Name: acetic acid 2-[[4-(3-acetyl-4-nitrophenoxy)-1-oxobutyl]-cyclohexylamino]ethyl ester IUPAC Name: 2-[4-(3-acetyl-4-nitrophenoxy)butanoyl-cyclohexylamino]ethyl acetate Traditional Name: acetic acid 2-[4-(3-acetyl-4-nitro-phenoxy)butanoyl-cyclohexyl-amino]ethyl ester Formula: C22H30N2O7 MolecularWeight: 434.4828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O7/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/h10-11,15,18H,3-9,12-14H2,1-2H3