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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C14H18N2O4/c1-9-5-10(2)8-15(7-9)13-4-3-11(16(19)20)6-12(13)14(17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)/t9-,10-/m0/s1