(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CC3=CN(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CC3=CN(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H20N2O4/c1-15-8-20-18(11-23(27)29-21(20)9-16(15)2)14-28-22(26)10-17-12-24-25(13-17)19-6-4-3-5-7-19/h3-9,11-13H,10,14H2,1-2H3