pyridin-2-ylmethyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: pyridin-2-ylmethyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: 2-pyridylmethyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid 2-pyridylmethyl ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4/c22-18(25-13-15-6-2-3-9-19-15)14-7-8-16(17(12-14)21(23)24)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11,13H2