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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid phthalimidomethyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c25-19-15-6-2-3-7-16(15)20(26)23(19)13-30-21(27)14-8-9-17(18(12-14)24(28)29)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2