dibenzofuran-2-yl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: dibenzofuran-2-yl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: dibenzofuran-2-yl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid 2-dibenzofuranyl ester IUPAC Name: dibenzofuran-2-yl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid dibenzofuran-2-yl ester Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O5/c1-16-10-12-26(13-11-16)21-8-6-17(14-22(21)27(29)30)25(28)31-18-7-9-24-20(15-18)19-4-2-3-5-23(19)32-24/h2-9,14-16H,10-13H2,1H3