ethyl 4-(4-tert-butyl-3-nitro-phenyl)-4-chloranyl-butanoate

Systemtic Name: ethyl 4-(4-tert-butyl-3-nitro-phenyl)-4-chloranyl-butanoate Openeye Name: ethyl 4-(4-tert-butyl-3-nitro-phenyl)-4-chloro-butanoate CAS Name: 4-(4-tert-butyl-3-nitrophenyl)-4-chlorobutanoic acid ethyl ester IUPAC Name: ethyl 4-(4-tert-butyl-3-nitrophenyl)-4-chlorobutanoate Traditional Name: 4-(4-tert-butyl-3-nitro-phenyl)-4-chloro-butyric acid ethyl ester Formula: C16H22ClNO4 MolecularWeight: 327.80318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClNO4/c1-5-22-15(19)9-8-13(17)11-6-7-12(16(2,3)4)14(10-11)18(20)21/h6-7,10,13H,5,8-9H2,1-4H3