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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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