(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-pyrazol-1-ylbenzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-pyrazol-1-ylbenzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C=CC=N4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C=CC=N4)C

InChI

InChI=1S/C22H18N2O4/c1-14-4-9-19-17(12-20(25)28-21(19)15(14)2)13-27-22(26)16-5-7-18(8-6-16)24-11-3-10-23-24/h3-12H,13H2,1-2H3