[2-[4-(2-chloranyl-6-nitro-phenoxy)phenyl]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[4-(2-chloranyl-6-nitro-phenoxy)phenyl]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[4-(2-chloro-6-nitro-phenoxy)phenyl]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[4-(2-chloro-6-nitro-phenoxy)phenyl]-2-keto-ethyl] ester Formula: C20H13ClN2O6 MolecularWeight: 412.78002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H13ClN2O6/c21-16-2-1-3-17(23(26)27)19(16)29-15-6-4-13(5-7-15)18(24)12-28-20(25)14-8-10-22-11-9-14/h1-11H,12H2