methyl 1-(2-methyl-3,5-dinitro-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(2-methyl-3,5-dinitro-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(2-methyl-3,5-dinitro-benzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methyl-3,5-dinitrophenyl)-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methyl-3,5-dinitrobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(2-methyl-3,5-dinitro-benzoyl)isonipecotic acid methyl ester Formula: C15H17N3O7 MolecularWeight: 351.31138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)N2CCC(CC2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)N2CCC(CC2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O7/c1-9-12(7-11(17(21)22)8-13(9)18(23)24)14(19)16-5-3-10(4-6-16)15(20)25-2/h7-8,10H,3-6H2,1-2H3