[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO5/c23-20(14-27-21(24)18-7-4-8-19(13-18)22(25)26)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6,14H2