ethyl 4-(4-tert-butyl-3-nitro-phenyl)-2-chloranyl-2-methyl-butanoate

Systemtic Name: ethyl 4-(4-tert-butyl-3-nitro-phenyl)-2-chloranyl-2-methyl-butanoate Openeye Name: ethyl 4-(4-tert-butyl-3-nitro-phenyl)-2-chloro-2-methyl-butanoate CAS Name: 4-(4-tert-butyl-3-nitrophenyl)-2-chloro-2-methylbutanoic acid ethyl ester IUPAC Name: ethyl 4-(4-tert-butyl-3-nitrophenyl)-2-chloro-2-methylbutanoate Traditional Name: 4-(4-tert-butyl-3-nitro-phenyl)-2-chloro-2-methyl-butyric acid ethyl ester Formula: C17H24ClNO4 MolecularWeight: 341.82976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CCC1=CC(=C(C=C1)C(C)(C)C)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C(C)(CCC1=CC(=C(C=C1)C(C)(C)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H24ClNO4/c1-6-23-15(20)17(5,18)10-9-12-7-8-13(16(2,3)4)14(11-12)19(21)22/h7-8,11H,6,9-10H2,1-5H3