2-[4-(3-chloranyl-5-ethanoyl-4-nitro-phenoxy)butanoyl-(cyclohexylmethyl)amino]ethyl ethanoate

Systemtic Name: 2-[4-(3-chloranyl-5-ethanoyl-4-nitro-phenoxy)butanoyl-(cyclohexylmethyl)amino]ethyl ethanoate Openeye Name: 2-[4-(3-acetyl-5-chloro-4-nitro-phenoxy)butanoyl-(cyclohexylmethyl)amino]ethyl acetate CAS Name: acetic acid 2-[[4-(3-acetyl-5-chloro-4-nitrophenoxy)-1-oxobutyl]-(cyclohexylmethyl)amino]ethyl ester IUPAC Name: 2-[4-(3-acetyl-5-chloro-4-nitrophenoxy)butanoyl-(cyclohexylmethyl)amino]ethyl acetate Traditional Name: acetic acid 2-[4-(3-acetyl-5-chloro-4-nitro-phenoxy)butanoyl-(cyclohexylmethyl)amino]ethyl ester Formula: C23H31ClN2O7 MolecularWeight: 482.95444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1[N+](=O)[O-])Cl)OCCCC(=O)N(CCOC(=O)C)CC2CCCCC2

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1[N+](=O)[O-])Cl)OCCCC(=O)N(CCOC(=O)C)CC2CCCCC2

InChI

InChI=1S/C23H31ClN2O7/c1-16(27)20-13-19(14-21(24)23(20)26(30)31)33-11-6-9-22(29)25(10-12-32-17(2)28)15-18-7-4-3-5-8-18/h13-14,18H,3-12,15H2,1-2H3