methyl 1-(2,4-dinitrophenyl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(2,4-dinitrophenyl)piperidine-4-carboxylate Openeye Name: methyl 1-(2,4-dinitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2,4-dinitrophenyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2,4-dinitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2,4-dinitrophenyl)isonipecotic acid methyl ester Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6/c1-22-13(17)9-4-6-14(7-5-9)11-3-2-10(15(18)19)8-12(11)16(20)21/h2-3,8-9H,4-7H2,1H3