(E)-3-[3-[(Z)-[2-(3,4-dimethoxyphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[(Z)-[2-(3,4-dimethoxyphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[(Z)-[2-(3,4-dimethoxyphenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[(Z)-[2-(3,4-dimethoxyphenyl)-5-oxo-4-oxazolylidene]methyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[(Z)-[2-(3,4-dimethoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[(Z)-[2-(3,4-dimethoxyphenyl)-5-keto-2-oxazolin-4-ylidene]methyl]phenyl]acrylic acid Formula: C21H17NO6 MolecularWeight: 379.36278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CC3=CC(=CC=C3)C=CC(=O)O)C(=O)O2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=N/C(=C\C3=CC(=CC=C3)/C=C/C(=O)O)/C(=O)O2)OC

InChI

InChI=1S/C21H17NO6/c1-26-17-8-7-15(12-18(17)27-2)20-22-16(21(25)28-20)11-14-5-3-4-13(10-14)6-9-19(23)24/h3-12H,1-2H3,(H,23,24)/b9-6+,16-11-