ethyl (2E)-3-oxidanylidene-2-[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylidene]butanoate

Systemtic Name: ethyl (2E)-3-oxidanylidene-2-[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylidene]butanoate Openeye Name: ethyl (2E)-3-oxo-2-[[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]methylene]butanoate CAS Name: (2E)-3-oxo-2-[[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]methylidene]butanoic acid ethyl ester IUPAC Name: ethyl (2E)-3-oxo-2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]butanoate Traditional Name: (E)-2-acetyl-3-[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]acrylic acid ethyl ester Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CCOC(=O)/C(=C/C1=CN(N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4)/C(=O)C

InChI

InChI=1S/C25H20N2O5/c1-3-31-24(29)20(16(2)28)14-18-15-27(19-10-5-4-6-11-19)26-23(18)21-13-17-9-7-8-12-22(17)32-25(21)30/h4-15H,3H2,1-2H3/b20-14+