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

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

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