1-(3-methyl-2-nitro-phenyl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(3-methyl-2-nitro-phenyl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(3-methyl-2-nitro-benzoyl)piperidine-4-carboxylic acid CAS Name: 1-[(3-methyl-2-nitrophenyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(3-methyl-2-nitrobenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-(3-methyl-2-nitro-benzoyl)isonipecotic acid Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H16N2O5/c1-9-3-2-4-11(12(9)16(20)21)13(17)15-7-5-10(6-8-15)14(18)19/h2-4,10H,5-8H2,1H3,(H,18,19)