ethyl 1-[2-(4-chlorophenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-chlorophenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-[2-(4-chlorophenyl)-4-oxo-chroman-3-yl]triazole-4-carboxylate CAS Name: 1-[2-(4-chlorophenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chlorophenyl)-4-oxo-2,3-dihydrochromen-3-yl]triazole-4-carboxylate Traditional Name: 1-[2-(4-chlorophenyl)-4-keto-chroman-3-yl]triazole-4-carboxylic acid ethyl ester Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=N1)C2C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CN(N=N1)C2C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN3O4/c1-2-27-20(26)15-11-24(23-22-15)17-18(25)14-5-3-4-6-16(14)28-19(17)12-7-9-13(21)10-8-12/h3-11,17,19H,2H2,1H3