methyl 2-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperidin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperidin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-[(1,3-dioxoisoindolin-2-yl)methyl]-1-piperidyl]-5-nitro-benzoate CAS Name: 2-[4-[(1,3-dioxo-2-isoindolyl)methyl]-1-piperidinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[(1,3-dioxoisoindol-2-yl)methyl]piperidin-1-yl]-5-nitrobenzoate Traditional Name: 5-nitro-2-[4-(phthalimidomethyl)piperidino]benzoic acid methyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O6/c1-31-22(28)18-12-15(25(29)30)6-7-19(18)23-10-8-14(9-11-23)13-24-20(26)16-4-2-3-5-17(16)21(24)27/h2-7,12,14H,8-11,13H2,1H3