(3S)-1-[(4-nitrophenyl)carbamoyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(4-nitrophenyl)carbamoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(4-nitrophenyl)carbamoyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(4-nitroanilino)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(4-nitrophenyl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(4-nitrophenyl)carbamoyl]nipecotic acid Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5/c17-12(18)9-2-1-7-15(8-9)13(19)14-10-3-5-11(6-4-10)16(20)21/h3-6,9H,1-2,7-8H2,(H,14,19)(H,17,18)/t9-/m0/s1