[2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(N(C(=C3)C)CC4=CC=CO4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(N(C(=C3)C)CC4=CC=CO4)C)[N+](=O)[O-]

InChI

InChI=1S/C26H29N3O6/c1-17-8-10-27(11-9-17)23-7-6-20(14-24(23)29(32)33)26(31)35-16-25(30)22-13-18(2)28(19(22)3)15-21-5-4-12-34-21/h4-7,12-14,17H,8-11,15-16H2,1-3H3