ethyl (E)-3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]acrylic acid ethyl ester Formula: C23H18N2O4 MolecularWeight: 386.40002

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O4/c1-2-28-21(26)13-12-17-15-25(18-9-4-3-5-10-18)24-22(17)19-14-16-8-6-7-11-20(16)29-23(19)27/h3-15H,2H2,1H3/b13-12+