(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C23H18N2O5 MolecularWeight: 402.39942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C23H18N2O5/c26-19-7-8-20-18(10-23(28)30-21(20)11-19)15-29-22(27)9-6-17-12-24-25(14-17)13-16-4-2-1-3-5-16/h1-12,14,26H,13,15H2/b9-6+