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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC(C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4/c1-9-7-11(4-5-12(9)15(18)19)14-6-2-3-10(8-14)13(16)17/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,17)/p-1/t10-/m0/s1