4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: 4-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-3-nitrobenzoate IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]-3-nitro-benzoate Formula: C14H17N2O4- MolecularWeight: 277.29578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c1-9-5-10(2)8-15(7-9)12-4-3-11(14(17)18)6-13(12)16(19)20/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)/p-1/t9-,10-/m1/s1