(6-chloranylpyridin-3-yl)methyl 4-nitrobenzoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 4-nitrobenzoate Openeye Name: (6-chloro-3-pyridyl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (6-chloro-3-pyridyl)methyl ester Formula: C13H9ClN2O4 MolecularWeight: 292.67456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=CN=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=CN=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H9ClN2O4/c14-12-6-1-9(7-15-12)8-20-13(17)10-2-4-11(5-3-10)16(18)19/h1-7H,8H2