[4-(2,4,4-trimethylpentan-2-yl)phenyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [4-(2,4,4-trimethylpentan-2-yl)phenyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [4-(1,1,3,3-tetramethylbutyl)phenyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [4-(2,4,4-trimethylpentan-2-yl)phenyl] ester IUPAC Name: [4-(2,4,4-trimethylpentan-2-yl)phenyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [4-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H24ClNO4/c1-20(2,3)13-21(4,5)14-6-9-16(10-7-14)27-19(24)17-12-15(23(25)26)8-11-18(17)22/h6-12H,13H2,1-5H3