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

Systemtic Name: (3S)-1-(2-methyl-3-nitro-phenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(2-methyl-3-nitro-benzoyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(2-methyl-3-nitrophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(2-methyl-3-nitrobenzoyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2-methyl-3-nitro-benzoyl)nipecotic 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)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C14H16N2O5/c1-9-11(5-2-6-12(9)16(20)21)13(17)15-7-3-4-10(8-15)14(18)19/h2,5-6,10H,3-4,7-8H2,1H3,(H,18,19)/t10-/m0/s1