[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5/c1-21-12-17(22(25)26)11-18(21)20(24)27-13-19(23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-12,14H,2-6,13H2,1H3