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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

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