[3-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [3-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [3-(2-chloro-6-fluoro-phenyl)-2-methyl-4-oxo-chromen-7-yl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic 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] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [3-(2-chloro-6-fluoro-phenyl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C21H11ClFNO6S MolecularWeight: 459.831543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=C(S3)[N+](=O)[O-])C4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=C(S3)[N+](=O)[O-])C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H11ClFNO6S/c1-10-18(19-13(22)3-2-4-14(19)23)20(25)12-6-5-11(9-15(12)29-10)30-21(26)16-7-8-17(31-16)24(27)28/h2-9H,1H3