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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

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