1-(2-methyl-4-nitro-phenyl)piperidine-2-carboxylic acid

Systemtic Name: 1-(2-methyl-4-nitro-phenyl)piperidine-2-carboxylic acid Openeye Name: 1-(2-methyl-4-nitro-phenyl)piperidine-2-carboxylic acid CAS Name: 1-(2-methyl-4-nitrophenyl)-2-piperidinecarboxylic acid IUPAC Name: 1-(2-methyl-4-nitrophenyl)piperidine-2-carboxylic acid Traditional Name: 1-(2-methyl-4-nitro-phenyl)pipecolinic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4/c1-9-8-10(15(18)19)5-6-11(9)14-7-3-2-4-12(14)13(16)17/h5-6,8,12H,2-4,7H2,1H3,(H,16,17)