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

Systemtic Name: (3S)-1-(3-methyl-4-nitro-phenyl)carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(3-methyl-4-nitro-benzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(3-methyl-4-nitrophenyl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(3-methyl-4-nitrobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(3-methyl-4-nitro-benzoyl)nipecotate Formula: C14H15N2O5- MolecularWeight: 291.2793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5/c1-9-7-10(4-5-12(9)16(20)21)13(17)15-6-2-3-11(8-15)14(18)19/h4-5,7,11H,2-3,6,8H2,1H3,(H,18,19)/p-1/t11-/m0/s1