(3S)-1-(3-methyl-2-nitro-phenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-(3-methyl-2-nitro-phenyl)carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(3-methyl-2-nitro-benzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(3-methyl-2-nitrophenyl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(3-methyl-2-nitrobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(3-methyl-2-nitro-benzoyl)nipecotate Formula: C14H15N2O5- MolecularWeight: 291.2793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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