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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-pyrazol-1-ylbenzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)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-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H15ClN2O4 MolecularWeight: 394.8078

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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)N4C=CC=N4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)N4C=CC=N4)Cl

InChI

InChI=1S/C21H15ClN2O4/c1-13-9-19-17(11-18(13)22)15(10-20(25)28-19)12-27-21(26)14-3-5-16(6-4-14)24-8-2-7-23-24/h2-11H,12H2,1H3