5-(3,5-dimethylpiperidin-1-yl)-2-nitro-benzoic acid

Systemtic Name: 5-(3,5-dimethylpiperidin-1-yl)-2-nitro-benzoic acid Openeye Name: 5-(3,5-dimethyl-1-piperidyl)-2-nitro-benzoic acid CAS Name: 5-(3,5-dimethyl-1-piperidinyl)-2-nitrobenzoic acid IUPAC Name: 5-(3,5-dimethylpiperidin-1-yl)-2-nitrobenzoic acid Traditional Name: 5-(3,5-dimethylpiperidino)-2-nitro-benzoic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C14H18N2O4/c1-9-5-10(2)8-15(7-9)11-3-4-13(16(19)20)12(6-11)14(17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)