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

Systemtic Name: 2-[4-(3-chloranyl-5-methanoyl-4-nitro-phenoxy)butanoyl-(cyclohexylmethyl)amino]ethyl ethanoate Openeye Name: 2-[4-(3-chloro-5-formyl-4-nitro-phenoxy)butanoyl-(cyclohexylmethyl)amino]ethyl acetate CAS Name: acetic acid 2-[[4-(3-chloro-5-formyl-4-nitrophenoxy)-1-oxobutyl]-(cyclohexylmethyl)amino]ethyl ester IUPAC Name: 2-[4-(3-chloro-5-formyl-4-nitrophenoxy)butanoyl-(cyclohexylmethyl)amino]ethyl acetate Traditional Name: acetic acid 2-[4-(3-chloro-5-formyl-4-nitro-phenoxy)butanoyl-(cyclohexylmethyl)amino]ethyl ester Formula: C22H29ClN2O7 MolecularWeight: 468.92786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(CC1CCCCC1)C(=O)CCCOC2=CC(=C(C(=C2)C=O)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)OCCN(CC1CCCCC1)C(=O)CCCOC2=CC(=C(C(=C2)C=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H29ClN2O7/c1-16(27)31-11-9-24(14-17-6-3-2-4-7-17)21(28)8-5-10-32-19-12-18(15-26)22(25(29)30)20(23)13-19/h12-13,15,17H,2-11,14H2,1H3