methyl 3,5-dinitro-4-piperidin-1-yl-benzoate

Systemtic Name: methyl 3,5-dinitro-4-piperidin-1-yl-benzoate Openeye Name: methyl 3,5-dinitro-4-(1-piperidyl)benzoate CAS Name: 3,5-dinitro-4-(1-piperidinyl)benzoic acid methyl ester IUPAC Name: methyl 3,5-dinitro-4-piperidin-1-ylbenzoate Traditional Name: 3,5-dinitro-4-piperidino-benzoic acid methyl ester Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O6/c1-22-13(17)9-7-10(15(18)19)12(11(8-9)16(20)21)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3