(2S)-1-(2-methyl-3-nitro-phenyl)carbonylpiperidine-2-carboxylic acid

Systemtic Name: (2S)-1-(2-methyl-3-nitro-phenyl)carbonylpiperidine-2-carboxylic acid Openeye Name: (2S)-1-(2-methyl-3-nitro-benzoyl)piperidine-2-carboxylic acid CAS Name: (2S)-1-[(2-methyl-3-nitrophenyl)-oxomethyl]-2-piperidinecarboxylic acid IUPAC Name: (2S)-1-(2-methyl-3-nitrobenzoyl)piperidine-2-carboxylic acid Traditional Name: (2S)-1-(2-methyl-3-nitro-benzoyl)pipecolinic acid Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCCCC2C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C14H16N2O5/c1-9-10(5-4-7-11(9)16(20)21)13(17)15-8-3-2-6-12(15)14(18)19/h4-5,7,12H,2-3,6,8H2,1H3,(H,18,19)/t12-/m0/s1