(E)-3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]acrylic acid Formula: C21H14N2O4 MolecularWeight: 358.34686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)/C=C/C(=O)O

InChI

InChI=1S/C21H14N2O4/c24-19(25)11-10-15-13-23(16-7-2-1-3-8-16)22-20(15)17-12-14-6-4-5-9-18(14)27-21(17)26/h1-13H,(H,24,25)/b11-10+