(2-chloranyl-4-nitro-phenyl)methyl pyridine-3-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl)methyl pyridine-3-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl)methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (2-chloro-4-nitrophenyl)methyl ester IUPAC Name: (2-chloro-4-nitrophenyl)methyl pyridine-3-carboxylate Traditional Name: nicotinic acid (2-chloro-4-nitro-benzyl) ester Formula: C13H9ClN2O4 MolecularWeight: 292.67456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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