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

Systemtic Name: 4-(2-ethylpiperidin-1-yl)-3-nitro-benzoic acid Openeye Name: 4-(2-ethyl-1-piperidyl)-3-nitro-benzoic acid CAS Name: 4-(2-ethyl-1-piperidinyl)-3-nitrobenzoic acid IUPAC Name: 4-(2-ethylpiperidin-1-yl)-3-nitrobenzoic acid Traditional Name: 4-(2-ethylpiperidino)-3-nitro-benzoic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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