pyridin-3-ylmethyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: pyridin-3-ylmethyl 2-chloranyl-4-nitro-benzoate Openeye Name: 3-pyridylmethyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid 3-pyridylmethyl ester Formula: C13H9ClN2O4 MolecularWeight: 292.67456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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