(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H15ClN2O5 MolecularWeight: 410.8072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H15ClN2O5/c1-12-19(20(22)24(23-12)14-5-3-2-4-6-14)21(27)28-11-13-9-18(26)29-17-10-15(25)7-8-16(13)17/h2-10,25H,11H2,1H3