(3S)-1-[2-(2-nitrophenyl)ethanoyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[2-(2-nitrophenyl)ethanoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[2-(2-nitrophenyl)acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(2-nitrophenyl)-1-oxoethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[2-(2-nitrophenyl)acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(2-nitrophenyl)acetyl]nipecotate Formula: C14H15N2O5- MolecularWeight: 291.2793

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H16N2O5/c17-13(15-7-3-5-11(9-15)14(18)19)8-10-4-1-2-6-12(10)16(20)21/h1-2,4,6,11H,3,5,7-9H2,(H,18,19)/p-1/t11-/m0/s1