4-(2,6-dimethylpiperidin-1-yl)-3-nitro-benzoic acid

Systemtic Name: 4-(2,6-dimethylpiperidin-1-yl)-3-nitro-benzoic acid Openeye Name: 4-(2,6-dimethyl-1-piperidyl)-3-nitro-benzoic acid CAS Name: 4-(2,6-dimethyl-1-piperidinyl)-3-nitrobenzoic acid IUPAC Name: 4-(2,6-dimethylpiperidin-1-yl)-3-nitrobenzoic acid Traditional Name: 4-(2,6-dimethylpiperidino)-3-nitro-benzoic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCC(N1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C

InChI

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