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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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