1-[(2-methyl-3-nitro-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-methyl-3-nitro-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-methyl-3-nitro-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methyl-3-nitrophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methyl-3-nitrophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(2-methyl-3-nitro-benzyl)isonipecotic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CN2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CN2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H18N2O4/c1-10-12(3-2-4-13(10)16(19)20)9-15-7-5-11(6-8-15)14(17)18/h2-4,11H,5-9H2,1H3,(H,17,18)