methyl 3-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: methyl 3-nitro-2-piperidin-1-yl-benzoate Openeye Name: methyl 3-nitro-2-(1-piperidyl)benzoate CAS Name: 3-nitro-2-(1-piperidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-2-piperidin-1-ylbenzoate Traditional Name: 3-nitro-2-piperidino-benzoic acid methyl ester Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4/c1-19-13(16)10-6-5-7-11(15(17)18)12(10)14-8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3