3-nitro-2-[(3S)-3-oxidanylpiperidin-1-yl]benzoic acid

Systemtic Name: 3-nitro-2-[(3S)-3-oxidanylpiperidin-1-yl]benzoic acid Openeye Name: 2-[(3S)-3-hydroxy-1-piperidyl]-3-nitro-benzoic acid CAS Name: 2-[(3S)-3-hydroxy-1-piperidinyl]-3-nitrobenzoic acid IUPAC Name: 2-[(3S)-3-hydroxypiperidin-1-yl]-3-nitrobenzoic acid Traditional Name: 2-[(3S)-3-hydroxypiperidino]-3-nitro-benzoic acid Formula: C12H14N2O5 MolecularWeight: 266.24996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)O

InChI

InChI=1S/C12H14N2O5/c15-8-3-2-6-13(7-8)11-9(12(16)17)4-1-5-10(11)14(18)19/h1,4-5,8,15H,2-3,6-7H2,(H,16,17)/t8-/m0/s1