(6-chloranylpyridin-3-yl)methyl 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: (6-chloro-3-pyridyl)methyl 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid (6-chloro-3-pyridyl)methyl ester Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CN=C(C=C3)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CN=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O4/c19-17-7-4-13(11-20-17)12-26-18(23)15-10-14(22(24)25)5-6-16(15)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9,12H2