[4-(2-phenylpropan-2-yl)phenyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [4-(2-phenylpropan-2-yl)phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-(1-methyl-1-phenyl-ethyl)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-(2-phenylpropan-2-yl)phenyl] ester IUPAC Name: [4-(2-phenylpropan-2-yl)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (4-cumylphenyl) ester Formula: C22H18ClNO4 MolecularWeight: 395.83562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClNO4/c1-22(2,16-6-4-3-5-7-16)17-9-11-18(12-10-17)28-21(25)15-8-13-19(23)20(14-15)24(26)27/h3-14H,1-2H3