5-(3-ethylpiperidin-1-yl)-2-nitro-benzoic acid

Systemtic Name: 5-(3-ethylpiperidin-1-yl)-2-nitro-benzoic acid Openeye Name: 5-(3-ethyl-1-piperidyl)-2-nitro-benzoic acid CAS Name: 5-(3-ethyl-1-piperidinyl)-2-nitrobenzoic acid IUPAC Name: 5-(3-ethylpiperidin-1-yl)-2-nitrobenzoic acid Traditional Name: 5-(3-ethylpiperidino)-2-nitro-benzoic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1CCCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H18N2O4/c1-2-10-4-3-7-15(9-10)11-5-6-13(16(19)20)12(8-11)14(17)18/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,18)