ethyl 1-[6-nitro-1,3-bis(oxidanylidene)-2-phenyl-isoindol-5-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-nitro-1,3-bis(oxidanylidene)-2-phenyl-isoindol-5-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-(6-nitro-1,3-dioxo-2-phenyl-isoindolin-5-yl)piperidine-3-carboxylate CAS Name: 1-(6-nitro-1,3-dioxo-2-phenyl-5-isoindolyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-nitro-1,3-dioxo-2-phenylisoindol-5-yl)piperidine-3-carboxylate Traditional Name: 1-(1,3-diketo-6-nitro-2-phenyl-isoindolin-5-yl)nipecotic acid ethyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=C3C(=C2)C(=O)N(C3=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=C3C(=C2)C(=O)N(C3=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6/c1-2-31-22(28)14-7-6-10-23(13-14)18-11-16-17(12-19(18)25(29)30)21(27)24(20(16)26)15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,2,6-7,10,13H2,1H3