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

Systemtic Name: [4-(2-phenylpropan-2-yl)phenyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [4-(1-methyl-1-phenyl-ethyl)phenyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [4-(2-phenylpropan-2-yl)phenyl] ester IUPAC Name: [4-(2-phenylpropan-2-yl)phenyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-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=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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