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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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