2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-nitro-benzoate

Systemtic Name: 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-nitro-benzoate Openeye Name: 2-[(3S)-3-ethoxycarbonyl-1-piperidyl]-5-nitro-benzoate CAS Name: 2-[(3S)-3-ethoxycarbonyl-1-piperidinyl]-5-nitrobenzoate IUPAC Name: 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-nitrobenzoate Traditional Name: 2-[(3S)-3-carbethoxypiperidino]-5-nitro-benzoate Formula: C15H17N2O6- MolecularWeight: 321.30528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-2-23-15(20)10-4-3-7-16(9-10)13-6-5-11(17(21)22)8-12(13)14(18)19/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,19)/p-1/t10-/m0/s1