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

Systemtic Name: 1-(4-aminocarbonyl-2-nitro-phenyl)piperidine-3-carboxylic acid Openeye Name: 1-(4-carbamoyl-2-nitro-phenyl)piperidine-3-carboxylic acid CAS Name: 1-(4-carbamoyl-2-nitrophenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(4-carbamoyl-2-nitrophenyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-carbamoyl-2-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)C(=O)N)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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