5-(2-ethylpiperidin-1-yl)-2-nitro-benzoic acid

Systemtic Name: 5-(2-ethylpiperidin-1-yl)-2-nitro-benzoic acid Openeye Name: 5-(2-ethyl-1-piperidyl)-2-nitro-benzoic acid CAS Name: 5-(2-ethyl-1-piperidinyl)-2-nitrobenzoic acid IUPAC Name: 5-(2-ethylpiperidin-1-yl)-2-nitrobenzoic acid Traditional Name: 5-(2-ethylpiperidino)-2-nitro-benzoic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1CCCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H18N2O4/c1-2-10-5-3-4-8-15(10)11-6-7-13(16(19)20)12(9-11)14(17)18/h6-7,9-10H,2-5,8H2,1H3,(H,17,18)