methyl 1-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]isonipecotic acid methyl ester Formula: C17H17N3O7 MolecularWeight: 375.33278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7/c1-27-17(24)10-4-6-18(7-5-10)14(21)9-19-15(22)12-3-2-11(20(25)26)8-13(12)16(19)23/h2-3,8,10H,4-7,9H2,1H3