[2,5-dimethyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromen-7-yl] ethanoate

Systemtic Name: [2,5-dimethyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromen-7-yl] ethanoate Openeye Name: [2,5-dimethyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] acetate CAS Name: acetic acid [2,5-dimethyl-4-oxo-3-(1-phenyl-4-pyrazolyl)-1-benzopyran-7-yl] ester IUPAC Name: [2,5-dimethyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] acetate Traditional Name: acetic acid [4-keto-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-7-yl] ester Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)C(=C(O2)C)C3=CN(N=C3)C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)C(=C(O2)C)C3=CN(N=C3)C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C22H18N2O4/c1-13-9-18(28-15(3)25)10-19-20(13)22(26)21(14(2)27-19)16-11-23-24(12-16)17-7-5-4-6-8-17/h4-12H,1-3H3