(E)-3-(1,3-benzoxazol-2-yl)-4-(1-phenylpyrazol-4-yl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(1-phenylpyrazol-4-yl)but-3-enoate Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(1-phenylpyrazol-4-yl)but-3-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(1-phenyl-4-pyrazolyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(1-phenylpyrazol-4-yl)but-3-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(1-phenylpyrazol-4-yl)but-3-enoate Formula: C20H14N3O3- MolecularWeight: 344.34346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=C(CC(=O)[O-])C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C(\CC(=O)[O-])/C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H15N3O3/c24-19(25)11-15(20-22-17-8-4-5-9-18(17)26-20)10-14-12-21-23(13-14)16-6-2-1-3-7-16/h1-10,12-13H,11H2,(H,24,25)/p-1/b15-10+