3-nitro-2-phenyl-piperidine-1-carboxylic acid

Systemtic Name: 3-nitro-2-phenyl-piperidine-1-carboxylic acid Openeye Name: 3-nitro-2-phenyl-piperidine-1-carboxylic acid CAS Name: 3-nitro-2-phenyl-1-piperidinecarboxylic acid IUPAC Name: 3-nitro-2-phenylpiperidine-1-carboxylic acid Traditional Name: 3-nitro-2-phenyl-piperidine-1-carboxylic acid Formula: C12H14N2O4 MolecularWeight: 250.25056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4/c15-12(16)13-8-4-7-10(14(17)18)11(13)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,15,16)