(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic 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(=NN3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NN3)C4=CC=CC=C4)C

InChI

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