(4-cyclohexylphenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (4-cyclohexylphenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-cyclohexylphenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-cyclohexylphenyl) ester IUPAC Name: (4-cyclohexylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-cyclohexylphenyl) ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO4/c1-14-13-17(9-12-19(14)21(23)24)20(22)25-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3