[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[2,5-dimethyl-1-[[(2S)-2-oxolanyl]methyl]-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-keto-ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C[C@@H]2CCCO2)C)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-13-9-18(14(2)21(13)11-17-7-4-8-27-17)19(23)12-28-20(24)15-5-3-6-16(10-15)22(25)26/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3/t17-/m0/s1