[3-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] pyrazine-2-carboxylate

Systemtic Name: [3-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] pyrazine-2-carboxylate Openeye Name: [3-(2-chloro-6-fluoro-phenyl)-2-methyl-4-oxo-chromen-7-yl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [3-(2-chloro-6-fluoro-phenyl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C21H12ClFN2O4 MolecularWeight: 410.782383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=NC=CN=C3)C4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=NC=CN=C3)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H12ClFN2O4/c1-11-18(19-14(22)3-2-4-15(19)23)20(26)13-6-5-12(9-17(13)28-11)29-21(27)16-10-24-7-8-25-16/h2-10H,1H3