[8-acetyloxy-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromen-7-yl] ethanoate

Systemtic Name: [8-acetyloxy-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromen-7-yl] ethanoate Openeye Name: [8-acetoxy-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] acetate CAS Name: acetic acid [8-acetyloxy-4-oxo-3-(1-phenyl-4-pyrazolyl)-1-benzopyran-7-yl] ester IUPAC Name: [8-acetyloxy-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] acetate Traditional Name: acetic acid [8-acetoxy-4-keto-3-(1-phenylpyrazol-4-yl)chromen-7-yl] ester Formula: C22H16N2O6 MolecularWeight: 404.37224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=C(C=C1)C(=O)C(=CO2)C3=CN(N=C3)C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C2=C(C=C1)C(=O)C(=CO2)C3=CN(N=C3)C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C22H16N2O6/c1-13(25)29-19-9-8-17-20(27)18(12-28-21(17)22(19)30-14(2)26)15-10-23-24(11-15)16-6-4-3-5-7-16/h3-12H,1-2H3