[1-(4-chlorophenyl)-1-cyclohex-2-en-1-yl-ethyl] 4-nitrobenzoate

Systemtic Name: [1-(4-chlorophenyl)-1-cyclohex-2-en-1-yl-ethyl] 4-nitrobenzoate Openeye Name: [1-(4-chlorophenyl)-1-cyclohex-2-en-1-yl-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-(4-chlorophenyl)-1-(1-cyclohex-2-enyl)ethyl] ester IUPAC Name: [1-(4-chlorophenyl)-1-cyclohex-2-en-1-ylethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-(4-chlorophenyl)-1-cyclohex-2-en-1-yl-ethyl] ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCC=C1)(C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1CCCC=C1)(C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClNO4/c1-21(16-5-3-2-4-6-16,17-9-11-18(22)12-10-17)27-20(24)15-7-13-19(14-8-15)23(25)26/h3,5,7-14,16H,2,4,6H2,1H3