(2S)-1-(3-methyl-4-nitro-phenyl)piperidine-2-carboxylate

Systemtic Name: (2S)-1-(3-methyl-4-nitro-phenyl)piperidine-2-carboxylate Openeye Name: (2S)-1-(3-methyl-4-nitro-phenyl)piperidine-2-carboxylate CAS Name: (2S)-1-(3-methyl-4-nitrophenyl)-2-piperidinecarboxylate IUPAC Name: (2S)-1-(3-methyl-4-nitrophenyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(3-methyl-4-nitro-phenyl)pipecolinate Formula: C13H15N2O4- MolecularWeight: 263.2692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC[C@H]2C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O4/c1-9-8-10(5-6-11(9)15(18)19)14-7-3-2-4-12(14)13(16)17/h5-6,8,12H,2-4,7H2,1H3,(H,16,17)/p-1/t12-/m0/s1