5-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-nitro-benzoate

Systemtic Name: 5-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-nitro-benzoate Openeye Name: 5-[(3S)-3-carbamoyl-1-piperidyl]-2-nitro-benzoate CAS Name: 5-[(3S)-3-carbamoyl-1-piperidinyl]-2-nitrobenzoate IUPAC Name: 5-[(3S)-3-carbamoylpiperidin-1-yl]-2-nitrobenzoate Traditional Name: 5-[(3S)-3-carbamoylpiperidino]-2-nitro-benzoate Formula: C13H14N3O5- MolecularWeight: 292.26736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-])C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-])C(=O)N

InChI

InChI=1S/C13H15N3O5/c14-12(17)8-2-1-5-15(7-8)9-3-4-11(16(20)21)10(6-9)13(18)19/h3-4,6,8H,1-2,5,7H2,(H2,14,17)(H,18,19)/p-1/t8-/m0/s1