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

Systemtic Name: (3S)-1-[(2-nitrophenyl)carbamoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[(2-nitrophenyl)carbamoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2-nitroanilino)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[(2-nitrophenyl)carbamoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2-nitrophenyl)carbamoyl]nipecotate Formula: C13H14N3O5- MolecularWeight: 292.26736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H15N3O5/c17-12(18)9-4-3-7-15(8-9)13(19)14-10-5-1-2-6-11(10)16(20)21/h1-2,5-6,9H,3-4,7-8H2,(H,14,19)(H,17,18)/p-1/t9-/m0/s1