(3S)-1-(2-aminocarbonyl-4-nitro-phenyl)piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(2-aminocarbonyl-4-nitro-phenyl)piperidine-3-carboxylic acid Openeye Name: (3S)-1-(2-carbamoyl-4-nitro-phenyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-(2-carbamoyl-4-nitrophenyl)-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(2-carbamoyl-4-nitrophenyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2-carbamoyl-4-nitro-phenyl)nipecotic acid Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5/c14-12(17)10-6-9(16(20)21)3-4-11(10)15-5-1-2-8(7-15)13(18)19/h3-4,6,8H,1-2,5,7H2,(H2,14,17)(H,18,19)/t8-/m0/s1