ethyl 2-chloranyl-2-(4-cyclohexyl-3-methyl-5-nitro-phenyl)ethanoate

Systemtic Name: ethyl 2-chloranyl-2-(4-cyclohexyl-3-methyl-5-nitro-phenyl)ethanoate Openeye Name: ethyl 2-chloro-2-(4-cyclohexyl-3-methyl-5-nitro-phenyl)acetate CAS Name: 2-chloro-2-(4-cyclohexyl-3-methyl-5-nitrophenyl)acetic acid ethyl ester IUPAC Name: ethyl 2-chloro-2-(4-cyclohexyl-3-methyl-5-nitrophenyl)acetate Traditional Name: 2-chloro-2-(4-cyclohexyl-3-methyl-5-nitro-phenyl)acetic acid ethyl ester Formula: C17H22ClNO4 MolecularWeight: 339.81388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClNO4/c1-3-23-17(20)16(18)13-9-11(2)15(14(10-13)19(21)22)12-7-5-4-6-8-12/h9-10,12,16H,3-8H2,1-2H3