(1-phenylpyrazol-4-yl)methyl 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

InChI

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