4-[(3S)-3-aminocarbonylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: 4-[(3S)-3-aminocarbonylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: 4-[(3S)-3-carbamoyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-carbamoyl-1-piperidinyl]-3-nitrobenzoate IUPAC Name: 4-[(3S)-3-carbamoylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-carbamoylpiperidino]-3-nitro-benzoate Formula: C13H14N3O5- MolecularWeight: 292.26736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5/c14-12(17)9-2-1-5-15(7-9)10-4-3-8(13(18)19)6-11(10)16(20)21/h3-4,6,9H,1-2,5,7H2,(H2,14,17)(H,18,19)/p-1/t9-/m0/s1