2-[cyclopentylmethyl-[4-(3-ethanoyl-6-fluoranyl-2-nitro-phenoxy)butanoyl]amino]ethyl ethanoate

Systemtic Name: 2-[cyclopentylmethyl-[4-(3-ethanoyl-6-fluoranyl-2-nitro-phenoxy)butanoyl]amino]ethyl ethanoate Openeye Name: 2-[4-(3-acetyl-6-fluoro-2-nitro-phenoxy)butanoyl-(cyclopentylmethyl)amino]ethyl acetate CAS Name: acetic acid 2-[[4-(3-acetyl-6-fluoro-2-nitrophenoxy)-1-oxobutyl]-(cyclopentylmethyl)amino]ethyl ester IUPAC Name: 2-[4-(3-acetyl-6-fluoro-2-nitrophenoxy)butanoyl-(cyclopentylmethyl)amino]ethyl acetate Traditional Name: acetic acid 2-[4-(3-acetyl-6-fluoro-2-nitro-phenoxy)butanoyl-(cyclopentylmethyl)amino]ethyl ester Formula: C22H29FN2O7 MolecularWeight: 452.473263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)F)OCCCC(=O)N(CCOC(=O)C)CC2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1)F)OCCCC(=O)N(CCOC(=O)C)CC2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C22H29FN2O7/c1-15(26)18-9-10-19(23)22(21(18)25(29)30)32-12-5-8-20(28)24(11-13-31-16(2)27)14-17-6-3-4-7-17/h9-10,17H,3-8,11-14H2,1-2H3