dimethyl 1-[(6-chloranyl-2-oxidanylidene-chromen-4-yl)methyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[(6-chloranyl-2-oxidanylidene-chromen-4-yl)methyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[(6-chloro-2-oxo-chromen-4-yl)methyl]triazole-4,5-dicarboxylate CAS Name: 1-[(6-chloro-2-oxo-1-benzopyran-4-yl)methyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(6-chloro-2-oxochromen-4-yl)methyl]triazole-4,5-dicarboxylate Traditional Name: 1-[(6-chloro-2-keto-chromen-4-yl)methyl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C16H12ClN3O6 MolecularWeight: 377.73598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)CC2=CC(=O)OC3=C2C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)CC2=CC(=O)OC3=C2C=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C16H12ClN3O6/c1-24-15(22)13-14(16(23)25-2)20(19-18-13)7-8-5-12(21)26-11-4-3-9(17)6-10(8)11/h3-6H,7H2,1-2H3