(4-pyrazol-1-ylphenyl)methyl 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 6-chloro-4-oxo-chromene-2-carboxylate CAS Name: 6-chloro-4-oxo-1-benzopyran-2-carboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate Traditional Name: 6-chloro-4-keto-chromene-2-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H13ClN2O4 MolecularWeight: 380.78122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C20H13ClN2O4/c21-14-4-7-18-16(10-14)17(24)11-19(27-18)20(25)26-12-13-2-5-15(6-3-13)23-9-1-8-22-23/h1-11H,12H2