(3S)-1-(3-methyl-4-nitro-phenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(3-methyl-4-nitro-phenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(3-methyl-4-nitro-benzoyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(3-methyl-4-nitrophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(3-methyl-4-nitrobenzoyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(3-methyl-4-nitro-benzoyl)nipecotic acid Formula: C14H16N2O5 MolecularWeight: 292.28724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCC(C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCC[C@@H](C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O5/c1-9-7-10(4-5-12(9)16(20)21)13(17)15-6-2-3-11(8-15)14(18)19/h4-5,7,11H,2-3,6,8H2,1H3,(H,18,19)/t11-/m0/s1