(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H17ClN2O4 MolecularWeight: 408.83438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4)Cl

InChI

InChI=1S/C22H17ClN2O4/c1-14-9-20-18(11-19(14)23)17(10-21(26)29-20)13-28-22(27)16-5-3-15(4-6-16)12-25-8-2-7-24-25/h2-11H,12-13H2,1H3