2-(4-ethoxycarbonylpiperidin-1-yl)-3-nitro-benzoic acid

Systemtic Name: 2-(4-ethoxycarbonylpiperidin-1-yl)-3-nitro-benzoic acid Openeye Name: 2-(4-ethoxycarbonyl-1-piperidyl)-3-nitro-benzoic acid CAS Name: 2-(4-ethoxycarbonyl-1-piperidinyl)-3-nitrobenzoic acid IUPAC Name: 2-(4-ethoxycarbonylpiperidin-1-yl)-3-nitrobenzoic acid Traditional Name: 2-(4-carbethoxypiperidino)-3-nitro-benzoic acid Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H18N2O6/c1-2-23-15(20)10-6-8-16(9-7-10)13-11(14(18)19)4-3-5-12(13)17(21)22/h3-5,10H,2,6-9H2,1H3,(H,18,19)