5-[(2S)-2-methylpiperidin-1-yl]-2-nitro-benzoate

Systemtic Name: 5-[(2S)-2-methylpiperidin-1-yl]-2-nitro-benzoate Openeye Name: 5-[(2S)-2-methyl-1-piperidyl]-2-nitro-benzoate CAS Name: 5-[(2S)-2-methyl-1-piperidinyl]-2-nitrobenzoate IUPAC Name: 5-[(2S)-2-methylpiperidin-1-yl]-2-nitrobenzoate Traditional Name: 5-[(2S)-2-methylpiperidino]-2-nitro-benzoate Formula: C13H15N2O4- MolecularWeight: 263.2692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H16N2O4/c1-9-4-2-3-7-14(9)10-5-6-12(15(18)19)11(8-10)13(16)17/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)/p-1/t9-/m0/s1